data_2k1r_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 2k1r _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' H ' ' CB ' ' B' ' 85' ' ' CYS . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.417 ' CB ' ' H ' ' A' ' 17' ' ' SER . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.188 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 1.188 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 18' ' ' CYS 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 1.141 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.811 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.811 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.429 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . 0.429 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.599 ' HG ' ' CD2' ' B' ' 119' ' ' HIS . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.599 ' CD2' ' HG ' ' B' ' 117' ' ' SER . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.907 0 CA-C-O 119.545 -0.586 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.483 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 112.74 -0.144 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.57 ' HG ' ' CD2' ' B' ' 119' ' ' HIS . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . 0.57 ' CD2' ' HG ' ' B' ' 117' ' ' SER . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.577 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 84' ' ' THR . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 82' ' ' ASP . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.577 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . 0.452 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 CA-C-O 119.041 -0.866 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.468 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.448 HE21 ' CD1' ' A' ' 58' ' ' LEU . 55.8 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 ' CD1' HE21 ' A' ' 53' ' ' GLN . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.432 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' B' ' 141' ' ' GLU . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' ' 76' ' ' LYS . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 119.748 -0.473 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 1.093 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 CA-C-O 119.584 -0.565 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 83' ' ' MET . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' MET . . . . . 0.415 ' H ' ' C ' ' B' ' 81' ' ' VAL . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 113.744 0.258 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.519 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.519 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.479 -0.623 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.854 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 113.357 0.103 . . . . 0.0 113.357 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.411 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.479 0.181 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.04 -172.45 14.21 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.822 1.677 . . . . 0.0 112.121 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' H ' ' CB ' ' B' ' 85' ' ' CYS . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.407 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.417 ' CB ' ' H ' ' A' ' 17' ' ' SER . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . 0.407 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.717 0.294 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.94 -161.31 33.27 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.333 0.968 . . . . 0.0 112.595 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.88 -13.4 5.81 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.98 -170.36 17.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.856 1.217 . . . . 0.0 114.567 172.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -162.63 31.82 Favored Glycine 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -165.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.85 118.99 6.27 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.61 160.6 34.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.215 0.912 . . . . 0.0 111.314 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.429 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . 0.429 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.599 ' HG ' ' CD2' ' B' ' 119' ' ' HIS . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.599 ' CD2' ' HG ' ' B' ' 117' ' ' SER . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.94 -61.33 0.04 OUTLIER Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.14 0.876 . . . . 0.0 113.087 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.483 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.483 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.55 -154.39 18.82 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.245 1.403 . . . . 0.0 112.74 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.57 ' HG ' ' CD2' ' B' ' 119' ' ' HIS . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . 0.57 ' CD2' ' HG ' ' B' ' 117' ' ' SER . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.454 0.169 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.06 -151.14 11.78 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.747 -0.595 . . . . 0.0 112.91 -174.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.577 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 84' ' ' THR . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' THR . . . . . 0.437 ' H ' ' C ' ' B' ' 82' ' ' ASP . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.577 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . 0.452 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . 0.418 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . 0.418 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . 0.452 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.54 -33.7 0.2 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 124.368 0.985 . . . . 0.0 113.699 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.468 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.448 HE21 ' CD1' ' A' ' 58' ' ' LEU . 55.8 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' CD1' HE21 ' A' ' 53' ' ' GLN . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.432 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . 0.4 ' HZ2' ' CD ' ' B' ' 141' ' ' GLU . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.468 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . 0.4 ' CD ' ' HZ2' ' B' ' 76' ' ' LYS . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtp . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.19 -129.58 9.43 Favored Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.028 1.299 . . . . 0.0 112.579 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.455 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.455 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.649 0.261 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.1 -94.23 0.11 Allowed Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.669 1.128 . . . . 0.0 112.548 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 -162.05 16.89 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.302 1.429 . . . . 0.0 110.564 -160.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . 0.415 ' C ' ' H ' ' B' ' 83' ' ' MET . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' MET . . . . . 0.415 ' H ' ' C ' ' B' ' 81' ' ' VAL . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.296 0.093 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -98.39 0.18 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 123.923 0.773 . . . . 0.0 111.921 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 ttp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.67 -172.79 18.79 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.129 1.347 . . . . 0.0 113.744 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.519 ' HG ' ' CB ' ' B' ' 85' ' ' CYS . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.519 ' CB ' ' HG ' ' A' ' 17' ' ' SER . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.4 ttm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.43 -21.29 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.534 1.064 . . . . 0.0 113.651 -164.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.363 0.125 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.09 -154.72 6.22 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.104 1.335 . . . . 0.0 112.082 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.37 -176.5 34.39 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -155.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.7 -161.78 24.83 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.314 0.959 . . . . 0.0 113.357 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' CYS . . . . . 0.416 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 HE22 ' A' ' 53' ' ' GLN . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.408 HE22 HG12 ' A' ' 32' ' ' VAL . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 32' ' ' VAL . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 26' ' ' ILE . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' ASN . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 18' ' ' CYS 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.402 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.464 ' HB2' ' H ' ' A' ' 7' ' ' THR . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.137 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 1.137 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.907 0 CA-C-O 119.545 -0.586 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' H ' ' HG ' ' A' ' 15' ' ' CYS . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.513 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 112.74 -0.144 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG23 HG21 ' A' ' 32' ' ' VAL 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 HG23 ' A' ' 26' ' ' ILE . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' CYS . . . . . 0.446 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' CYS . . . . . 0.408 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 133' ' ' LYS . . . . . 0.446 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 CA-C-O 119.041 -0.866 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 119.748 -0.473 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' GLY . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 HE21 ' CD1' ' A' ' 58' ' ' LEU . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' HE21 ' A' ' 53' ' ' GLN . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.406 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 88' ' ' CYS . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 CA-C-O 119.584 -0.565 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.965 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 46' ' ' ILE . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.965 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 26' ' ' ILE . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 32' ' ' VAL 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG11 HG23 ' A' ' 26' ' ' ILE . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 113.744 0.258 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.431 HG21 HG23 ' A' ' 26' ' ' ILE . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.479 -0.623 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.85 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.85 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 113.357 0.103 . . . . 0.0 113.357 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.479 0.181 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.04 -172.45 14.21 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.822 1.677 . . . . 0.0 112.121 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' CYS . . . . . 0.416 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.717 0.294 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.94 -161.31 33.27 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.333 0.968 . . . . 0.0 112.595 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 HE22 ' A' ' 53' ' ' GLN . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.408 HE22 HG12 ' A' ' 32' ' ' VAL . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.88 -13.4 5.81 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 32' ' ' VAL . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 26' ' ' ILE . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.98 -170.36 17.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.856 1.217 . . . . 0.0 114.567 172.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' ASN . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.464 ' HB2' ' H ' ' A' ' 7' ' ' THR . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -162.63 31.82 Favored Glycine 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -165.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.85 118.99 6.27 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.61 160.6 34.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.215 0.912 . . . . 0.0 111.314 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.94 -61.33 0.04 OUTLIER Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.14 0.876 . . . . 0.0 113.087 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.513 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.55 -154.39 18.82 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.245 1.403 . . . . 0.0 112.74 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG23 HG21 ' A' ' 32' ' ' VAL 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 HG23 ' A' ' 26' ' ' ILE . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.454 0.169 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.06 -151.14 11.78 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.747 -0.595 . . . . 0.0 112.91 -174.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' CYS . . . . . 0.446 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' CYS . . . . . 0.408 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' LYS . . . . . 0.446 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.54 -33.7 0.2 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 124.368 0.985 . . . . 0.0 113.699 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtp . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.19 -129.58 9.43 Favored Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.028 1.299 . . . . 0.0 112.579 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' GLY . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 HE21 ' CD1' ' A' ' 58' ' ' LEU . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' HE21 ' A' ' 53' ' ' GLN . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 88' ' ' CYS . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.649 0.261 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.1 -94.23 0.11 Allowed Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.669 1.128 . . . . 0.0 112.548 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 46' ' ' ILE . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 -162.05 16.89 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.302 1.429 . . . . 0.0 110.564 -160.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 26' ' ' ILE . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.296 0.093 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -98.39 0.18 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 123.923 0.773 . . . . 0.0 111.921 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 32' ' ' VAL 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG11 HG23 ' A' ' 26' ' ' ILE . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 ttp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.67 -172.79 18.79 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.129 1.347 . . . . 0.0 113.744 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.4 ttm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.43 -21.29 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.534 1.064 . . . . 0.0 113.651 -164.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.431 HG21 HG23 ' A' ' 26' ' ' ILE . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.363 0.125 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.09 -154.72 6.22 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.104 1.335 . . . . 0.0 112.082 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.37 -176.5 34.39 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -155.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.7 -161.78 24.83 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.314 0.959 . . . . 0.0 113.357 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.112 0 N-CA-C 112.121 -0.392 . . . . 0.0 112.121 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . 0.416 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.673 0 N-CA-C 112.595 -0.202 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.018 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 HE22 ' A' ' 53' ' ' GLN . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.408 HE22 HG12 ' A' ' 32' ' ' VAL . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 32' ' ' VAL . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 26' ' ' ILE . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 1.166 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 N-CA-C 114.567 0.587 . . . . 0.0 114.567 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' ASN . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 18' ' ' CYS 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.708 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.402 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.464 ' HB2' ' H ' ' A' ' 7' ' ' THR . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.137 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 1.137 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.802 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.09 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.42 ' SG ' ' HB2' ' A' ' 15' ' ' CYS . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.536 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.907 0 CA-C-O 119.545 -0.586 . . . . 0.0 113.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.419 ' H ' ' HG ' ' A' ' 15' ' ' CYS . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.513 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.967 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 112.74 -0.144 . . . . 0.0 112.74 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.426 HG23 HG21 ' A' ' 32' ' ' VAL 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 HG23 ' A' ' 26' ' ' ILE . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.705 0 CA-C-O 119.827 -0.429 . . . . 0.0 112.91 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . 0.446 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . 0.408 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . 0.446 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.888 0 CA-C-O 119.041 -0.866 . . . . 0.0 113.699 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 HE21 ' CD1' ' A' ' 58' ' ' LEU . 55.8 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' HE21 ' A' ' 53' ' ' GLN . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 CA-C-O 119.748 -0.473 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' GLY . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.57 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 1.039 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 HE21 ' CD1' ' A' ' 58' ' ' LEU . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' HE21 ' A' ' 53' ' ' GLN . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.406 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 1.223 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 88' ' ' CYS . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 CA-C-O 119.584 -0.565 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.965 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 46' ' ' ILE . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.965 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 N-CA-C 110.564 -1.014 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 26' ' ' ILE . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.727 0 CA-C-O 119.475 -0.625 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.776 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 32' ' ' VAL 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG11 HG23 ' A' ' 26' ' ' ILE . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 113.744 0.258 . . . . 0.0 113.744 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 CA-C-O 119.113 -0.826 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.431 HG21 HG23 ' A' ' 26' ' ' ILE . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 1.118 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.961 0 CA-C-O 119.479 -0.623 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.85 ' SG ' ' SG ' ' A' ' 18' ' ' CYS . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.85 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.62 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 113.357 0.103 . . . . 0.0 113.357 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.407 ' SG ' ' SG ' ' B' ' 85' ' ' CYS . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.891 ' SG ' ' SG ' ' A' ' 15' ' ' CYS . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 120.479 0.181 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 115.04 -172.45 14.21 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 125.822 1.677 . . . . 0.0 112.121 -172.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.7 m -58.58 127.47 17.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 CA-C-O 121.806 0.813 . . . . 0.0 112.786 -172.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -108.9 160.1 16.26 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 126.708 2.003 . . . . 0.0 108.901 167.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 p -153.33 157.18 39.69 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 119.982 -1.699 . . . . 0.0 113.748 179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 5.6 p -157.67 160.63 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.969 0.907 . . . . 0.0 110.997 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -120.87 138.22 54.18 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.764 1.626 . . . . 0.0 109.291 175.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.22 113.48 26.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 126.266 1.826 . . . . 0.0 108.836 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.6 m -69.91 86.13 0.52 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 120.472 -1.392 . . . . 0.0 109.135 174.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -70.27 71.78 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 C-N-CA 127.218 2.207 . . . . 0.0 111.549 170.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -65.58 0.12 1.76 Allowed 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -173.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.95 7.28 37.99 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 125.171 1.367 . . . . 0.0 115.736 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.3 ttp -121.18 130.31 53.65 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 125.848 1.659 . . . . 0.0 110.496 -175.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -167.22 -26.84 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 116.665 2.098 . . . . 0.0 116.665 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.6 p -82.89 -91.04 0.08 Allowed 'General case' 0 CA--C 1.558 1.251 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -158.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -124.14 -52.61 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 125.776 1.631 . . . . 0.0 114.303 176.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.7 m -138.41 4.63 2.42 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -165.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 p -52.65 -48.05 66.69 Favored 'General case' 0 CA--C 1.553 1.081 0 O-C-N 120.296 -1.502 . . . . 0.0 109.913 151.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.4 t -39.02 -58.76 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 129.225 3.01 . . . . 0.0 111.738 164.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 67.7 t90 -62.74 -39.19 93.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.406 1.082 . . . . 0.0 113.062 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 m -57.56 -37.63 73.44 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.914 0.886 . . . . 0.0 111.343 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.23 -51.54 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 119.028 0.831 . . . . 0.0 110.747 173.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 -29.51 68.55 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.38 -57.66 8.68 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 123.119 0.567 . . . . 0.0 110.747 168.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -72.65 -37.21 68.05 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.5 mm -70.34 -50.33 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 124.092 0.957 . . . . 0.0 110.978 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.64 -10.82 8.71 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.072 1.32 . . . . 0.0 116.114 -171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -108.08 1.01 22.04 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 126.886 2.074 . . . . 0.0 113.099 176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.2 t -83.89 102.06 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 166.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -35.76 -40.9 0.2 Allowed 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.622 2.369 . . . . 0.0 116.412 -167.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -77.39 -3.28 82.18 Favored Glycine 0 N--CA 1.473 1.153 0 N-CA-C 116.642 1.417 . . . . 0.0 116.642 -177.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -71.57 141.35 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 CA-C-N 120.226 2.013 . . . . 0.0 111.501 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -115.18 -39.65 3.59 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -156.04 119.39 4.31 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.78 0.718 . . . . 0.0 112.72 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.79 141.13 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 125.226 1.41 . . . . 0.0 112.085 173.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -136.44 139.94 42.76 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.686 1.994 . . . . 0.0 109.436 170.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -131.07 137.8 54.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.224 -0.922 . . . . 0.0 111.007 173.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -113.89 114.56 26.41 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.515 1.526 . . . . 0.0 110.46 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -84.79 -28.74 25.95 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -167.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -97.57 -35.59 10.57 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.136 1.375 . . . . 0.0 111.739 -178.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -79.35 1.71 24.17 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 125.231 1.412 . . . . 0.0 111.841 167.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt 35.58 66.38 0.34 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 128.927 2.891 . . . . 0.0 114.564 177.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -156.02 166.46 33.4 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.669 1.188 . . . . 0.0 112.68 177.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.93 124.12 30.37 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.365 1.866 . . . . 0.0 109.678 -174.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.1 m -112.33 141.7 45.73 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.762 1.625 . . . . 0.0 109.267 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.5 tt -150.7 141.92 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.4 mt -101.44 131.82 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 126.234 1.814 . . . . 0.0 109.08 164.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -144.87 161.85 38.29 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.108 1.763 . . . . 0.0 112.595 -172.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -92.94 131.4 33.46 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 125.672 1.589 . . . . 0.0 111.751 178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -74.56 -12.1 22.45 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 123.949 3.099 . . . . 0.0 114.24 -173.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.6 mtmp? -83.51 -21.81 32.66 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.774 0.83 . . . . 0.0 111.989 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.7 mt -127.41 -15.13 5.18 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.409 1.884 . . . . 0.0 115.211 -169.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -139.04 162.26 35.37 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 120.475 1.489 . . . . 0.0 111.846 -175.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -153.46 158.03 32.73 Favored Pre-proline 0 N--CA 1.481 1.119 0 C-N-CA 125.963 1.705 . . . . 0.0 111.105 175.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.55 -36.69 94.93 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 123.016 2.478 . . . . 0.0 112.854 170.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -59.84 -45.76 91.4 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.847 -0.533 . . . . 0.0 111.927 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 85.8 m -62.37 -35.84 80.42 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.848 1.259 . . . . 0.0 111.915 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.18 -47.02 88.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.689 1.132 . . . . 0.0 110.9 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -61.33 -29.4 69.86 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 118.698 -0.668 . . . . 0.0 111.885 177.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -70.82 -38.97 73.3 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.97 1.259 . . . . 0.0 112.714 171.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.94 -29.57 66.75 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.3 mm -72.82 -28.48 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 CA-C-N 119.82 1.191 . . . . 0.0 111.991 170.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.0 -5.38 41.03 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.832 1.253 . . . . 0.0 114.139 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -71.75 -11.03 60.62 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.487 1.515 . . . . 0.0 113.22 162.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.7 mpp? -116.45 -132.03 0.32 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.25 1.42 . . . . 0.0 110.432 178.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 59.79 0.35 Allowed Glycine 0 C--N 1.337 0.636 0 O-C-N 121.309 -0.87 . . . . 0.0 112.386 173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -121.87 145.33 48.19 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.389 1.076 . . . . 0.0 111.221 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -91.35 68.68 5.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.065 0.936 . . . . 0.0 111.539 -162.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -82.89 129.35 35.0 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.952 1.701 . . . . 0.0 113.636 -169.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -138.67 136.3 43.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.406 1.883 . . . . 0.0 109.041 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.7 mt -76.39 130.89 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.372 0.669 . . . . 0.0 111.83 -176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -158.99 52.07 0.39 Allowed 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.048 -1.032 . . . . 0.0 113.539 -164.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 . . . . . 0 C--O 1.255 1.383 0 O-C-N 120.901 -1.124 . . . . 0.0 113.183 177.363 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 119.293 -0.384 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -90.69 65.75 1.55 Allowed 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 123.804 3.002 . . . . 0.0 112.13 -170.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.416 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 1.3 mmpt? -66.5 96.05 0.35 Allowed 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.802 -1.186 . . . . 0.0 112.43 169.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -100.93 146.05 27.86 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.426 2.291 . . . . 0.0 111.734 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -110.06 131.16 55.31 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.196 0.998 . . . . 0.0 111.158 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -129.88 139.91 51.07 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.661 1.584 . . . . 0.0 109.75 178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.9 t -115.64 134.28 55.2 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.681 0.792 . . . . 0.0 111.691 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.0 p -137.75 146.07 28.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 C-N-CA 125.543 1.537 . . . . 0.0 109.664 -173.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -66.84 70.2 0.08 Allowed 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 126.538 1.935 . . . . 0.0 114.426 -173.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 53.3 mtt -76.52 65.76 2.41 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.075 1.35 . . . . 0.0 112.245 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.2 p -68.14 -1.73 6.57 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.869 2.068 . . . . 0.0 114.488 172.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -166.83 148.42 6.12 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 126.364 1.866 . . . . 0.0 110.371 -175.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -67.35 -36.06 88.63 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.194 0.902 . . . . 0.0 112.109 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.41 -44.15 59.69 Favored Glycine 0 CA--C 1.53 0.969 0 CA-C-N 118.418 1.109 . . . . 0.0 110.577 172.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 33.8 t -55.91 -35.73 66.92 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 112.803 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.19 -58.56 3.43 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.08 1.752 . . . . 0.0 112.679 169.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -51.29 -30.5 18.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.06 1.344 . . . . 0.0 113.81 -169.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -43.48 -35.0 1.48 Allowed 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.78 1.632 . . . . 0.0 114.887 168.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 m -59.92 -29.53 43.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-N 118.829 0.74 . . . . 0.0 112.162 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 91.4 p -65.27 -48.64 72.5 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 121.819 -0.55 . . . . 0.0 111.385 177.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -70.47 -36.68 74.01 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.166 -0.921 . . . . 0.0 112.781 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.69 -36.85 72.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 CA-C-N 119.669 1.122 . . . . 0.0 112.483 174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 79.6 mt -68.5 -35.28 77.28 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.794 1.179 . . . . 0.0 111.427 173.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -62.9 -23.54 67.4 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.21 -34.75 78.32 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 120.735 1.607 . . . . 0.0 112.147 170.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.91 -46.49 57.51 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.673 0.789 . . . . 0.0 110.963 166.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.26 -52.94 4.78 Favored Glycine 0 CA--C 1.528 0.885 0 C-N-CA 125.902 1.715 . . . . 0.0 113.646 172.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.62 55.03 2.92 Favored Glycine 0 N--CA 1.473 1.101 0 C-N-CA 126.163 1.839 . . . . 0.0 113.35 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 t -141.27 139.61 32.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 C-N-CA 125.673 1.589 . . . . 0.0 109.509 -171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 24.0 mtpt -109.13 136.12 49.15 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 126.085 1.754 . . . . 0.0 109.886 166.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -156.89 154.19 29.38 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -143.12 127.94 18.27 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.368 1.067 . . . . 0.0 111.565 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.4 mt -96.09 139.95 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 C-N-CA 125.388 1.475 . . . . 0.0 111.48 -172.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -121.42 99.46 6.49 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.872 1.269 . . . . 0.0 109.819 167.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.0 -38.77 38.72 Favored Pre-proline 0 CA--C 1.549 0.929 0 CA-C-O 116.609 -1.662 . . . . 0.0 114.279 -173.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -64.53 -49.68 3.13 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.937 2.424 . . . . 0.0 113.375 171.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.19 -18.02 60.82 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -175.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt 77.72 19.7 1.13 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.045 2.538 . . . . 0.0 112.126 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.53 143.69 26.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.881 2.072 . . . . 0.0 112.558 -172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 20.2 t -119.54 121.79 67.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 107.073 -1.454 . . . . 0.0 107.073 155.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . 0.416 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 20.1 t -103.49 120.64 41.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.637 0.775 . . . . 0.0 109.597 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 47.8 mt -122.4 146.78 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.997 1.319 . . . . 0.0 110.792 -164.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . 0.252 8.4 pm0 -137.26 121.46 17.99 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 122.93 1.348 . . . . 0.0 113.297 160.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 40.7 t -150.5 155.73 40.07 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.228 1.411 . . . . 0.0 111.584 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -76.51 -9.24 58.51 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.075 1.35 . . . . 0.0 113.715 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -69.83 158.15 36.04 Favored 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 123.879 0.871 . . . . 0.0 111.244 165.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 76.9 p -74.11 153.65 39.49 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 120.116 -1.615 . . . . 0.0 113.841 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.2 tmm? -53.19 -38.51 62.89 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.576 1.15 . . . . 0.0 111.861 171.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.3 -28.6 66.41 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.225 1.01 . . . . 0.0 113.278 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 79.2 m -70.76 -46.52 62.81 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.362 1.065 . . . . 0.0 110.137 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 89.5 mt -61.22 -48.89 79.41 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.302 1.041 . . . . 0.0 111.295 176.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 47.3 tp -59.67 -46.65 88.4 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.824 1.25 . . . . 0.0 111.882 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.23 89.5 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 176.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 90.8 m -66.27 -46.78 75.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 125.34 1.456 . . . . 0.0 111.051 177.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 87.3 mt -60.12 -40.88 91.28 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 118.862 0.755 . . . . 0.0 111.664 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 55.0 mtpt -69.37 -8.57 47.66 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.14 -32.61 71.19 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 120.344 -1.473 . . . . 0.0 112.066 163.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 19.1 p -70.91 1.26 5.79 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 115.455 1.65 . . . . 0.0 115.455 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.85 28.93 36.41 Favored Glycine 0 N--CA 1.472 1.049 0 N-CA-C 116.136 1.214 . . . . 0.0 116.136 163.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -129.09 167.87 16.92 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 115.613 1.709 . . . . 0.0 115.613 -169.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 13.1 m -60.78 106.41 0.57 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.812 1.245 . . . . 0.0 108.466 157.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 24.2 t -119.0 128.84 75.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.868 1.267 . . . . 0.0 110.046 172.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 67.0 m -128.78 126.46 39.97 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.88 0.872 . . . . 0.0 111.064 177.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -72.39 124.41 25.09 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.535 -0.728 . . . . 0.0 109.841 165.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 98.6 mt -128.93 56.17 1.69 Allowed 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.094 1.358 . . . . 0.0 110.759 -174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 80.81 -150.83 31.41 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 115.631 1.012 . . . . 0.0 115.631 160.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -126.53 142.96 51.36 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.543 1.137 . . . . 0.0 111.026 -161.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 . . . . . 0 C--O 1.254 1.318 0 C-N-CA 123.972 0.909 . . . . 0.0 111.078 172.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.717 0.294 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.94 -161.31 33.27 Favored Glycine 0 CA--C 1.525 0.673 0 C-N-CA 124.333 0.968 . . . . 0.0 112.595 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.1 m -67.44 160.06 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.679 0.792 . . . . 0.0 112.275 170.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -147.47 154.6 40.99 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.661 1.584 . . . . 0.0 108.728 167.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -151.87 160.98 43.36 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 119.632 -1.917 . . . . 0.0 113.712 -171.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.28 149.45 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 123.805 0.842 . . . . 0.0 111.947 -172.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 20.7 m -104.68 136.4 44.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.939 1.696 . . . . 0.0 110.088 172.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.0 mt -127.33 117.5 47.25 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 C-N-CA 125.427 1.491 . . . . 0.0 108.725 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -67.94 95.3 0.53 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 120.769 -1.207 . . . . 0.0 108.348 165.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.15 65.36 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 125.917 1.687 . . . . 0.0 109.989 176.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.84 -17.32 8.91 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.983 2.113 . . . . 0.0 115.62 -170.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -92.33 -1.09 69.58 Favored Glycine 0 N--CA 1.477 1.424 0 CA-C-N 119.344 0.974 . . . . 0.0 115.044 175.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.1 ttp -118.5 137.19 53.36 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.085 1.754 . . . . 0.0 110.538 -175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.7 t -160.16 11.12 0.11 Allowed 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 125.029 1.332 . . . . 0.0 114.328 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -130.35 171.6 12.77 Favored 'General case' 0 CA--C 1.564 1.493 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -173.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -87.15 -13.64 43.49 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 125.851 1.661 . . . . 0.0 114.568 -161.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.3 p -103.08 -19.46 14.54 Favored 'General case' 0 N--CA 1.483 1.187 0 O-C-N 120.084 -1.635 . . . . 0.0 112.744 171.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.3 m -69.09 -43.11 75.17 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.395 1.078 . . . . 0.0 109.995 173.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.6 m -55.63 -40.77 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 C-N-CA 124.165 0.986 . . . . 0.0 113.121 171.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -60.75 -41.5 95.51 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.372 0.669 . . . . 0.0 111.282 173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.9 m -60.03 -42.4 94.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.039 0.936 . . . . 0.0 110.909 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.6 mm -59.31 -51.09 76.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 CA-C-N 118.602 0.637 . . . . 0.0 111.121 173.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -56.85 -39.66 74.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.39 1.076 . . . . 0.0 112.427 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -72.15 -44.84 62.47 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.517 1.127 . . . . 0.0 113.246 176.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 19.3 mm-40 -74.96 -41.4 59.67 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 119.884 1.22 . . . . 0.0 113.802 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mm -63.83 -45.47 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.78 -4.63 4.41 Favored Glycine 0 CA--C 1.537 1.449 0 N-CA-C 115.983 1.153 . . . . 0.0 115.983 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.5 ttmt -101.88 -11.09 19.28 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 119.42 1.61 . . . . 0.0 113.277 170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.27 105.32 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.278 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 169.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -39.68 -44.53 1.54 Allowed 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.249 1.819 . . . . 0.0 114.2 -173.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.75 21.84 8.75 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 125.328 1.442 . . . . 0.0 115.98 -175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.408 HG12 HE22 ' A' ' 53' ' ' GLN . 22.8 m -87.37 153.84 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 CA-C-N 120.752 2.276 . . . . 0.0 112.354 169.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -121.51 -39.85 2.62 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.171 0.988 . . . . 0.0 113.371 169.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -151.33 134.41 15.91 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.293 0.951 . . . . 0.0 111.722 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.67 130.87 70.8 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 126.003 1.721 . . . . 0.0 110.651 174.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 61.5 tttt -119.68 142.86 48.11 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.322 1.449 . . . . 0.0 108.186 164.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.41 137.19 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.547 1.139 . . . . 0.0 109.67 168.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.0 m -130.41 119.33 22.54 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.817 0.847 . . . . 0.0 109.69 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 pp -87.66 -30.83 20.12 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 126.418 1.887 . . . . 0.0 113.825 -168.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -68.18 -33.54 74.64 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.01 0.823 . . . . 0.0 111.133 177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -108.3 11.5 27.18 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.699 1.6 . . . . 0.0 112.487 177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 48.71 43.84 21.06 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 127.308 2.243 . . . . 0.0 114.816 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -141.99 144.55 33.73 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -120.29 126.19 49.94 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 127.482 2.313 . . . . 0.0 109.727 -171.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.4 m -128.64 119.89 25.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.146 0.978 . . . . 0.0 110.003 -171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -141.64 135.8 30.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.528 -0.732 . . . . 0.0 111.696 -158.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.6 mt -103.16 123.19 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 126.678 1.991 . . . . 0.0 109.876 173.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -122.56 158.11 30.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.811 2.045 . . . . 0.0 112.687 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -82.0 113.73 45.38 Favored Pre-proline 0 CA--C 1.546 0.796 0 C-N-CA 125.382 1.473 . . . . 0.0 109.144 167.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -70.6 -3.9 13.49 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 123.119 2.546 . . . . 0.0 113.359 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -76.88 -33.76 57.81 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 119.493 1.042 . . . . 0.0 112.898 168.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 mp -103.47 -25.57 13.19 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.719 1.207 . . . . 0.0 112.956 -175.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.408 HE22 HG12 ' A' ' 32' ' ' VAL . 32.1 mt-30 -127.25 169.63 13.31 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -172.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 p -137.87 163.06 50.73 Favored Pre-proline 0 N--CA 1.471 0.617 0 C-N-CA 128.536 2.734 . . . . 0.0 107.603 161.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -49.12 -35.0 31.98 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.503 2.802 . . . . 0.0 113.221 171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -51.72 -45.23 63.53 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-O 118.357 -0.83 . . . . 0.0 112.934 169.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 20.8 m -57.38 -43.91 84.03 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 120.235 1.379 . . . . 0.0 111.133 174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.34 -39.61 92.59 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.598 0.759 . . . . 0.0 111.759 177.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -65.05 -40.98 95.55 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.402 1.081 . . . . 0.0 112.356 173.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -70.95 -30.04 66.23 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.151 -0.968 . . . . 0.0 112.418 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.41 -31.39 69.22 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 172.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.0 mm -71.21 -31.35 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 124.788 1.235 . . . . 0.0 112.153 175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -71.92 -5.52 35.29 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.11 1.364 . . . . 0.0 113.942 -171.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -69.4 -23.75 63.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.549 1.14 . . . . 0.0 112.315 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -101.31 -172.18 2.12 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.693 1.597 . . . . 0.0 110.38 171.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.41 58.73 0.41 Allowed Glycine 0 N--CA 1.47 0.955 0 C-N-CA 125.117 1.342 . . . . 0.0 112.525 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -105.5 -176.66 3.14 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.278 1.031 . . . . 0.0 110.679 177.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -127.11 146.09 50.5 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.072 1.349 . . . . 0.0 107.636 172.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.1 136.23 13.89 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.16 0.584 . . . . 0.0 112.468 -171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.5 t -137.39 133.88 46.6 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 125.506 1.522 . . . . 0.0 109.018 -175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -70.54 127.94 33.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 CA-C-O 121.731 0.777 . . . . 0.0 111.726 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.96 -158.68 0.89 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 124.467 1.107 . . . . 0.0 111.361 -169.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 C--O 1.254 1.335 0 C-N-CA 126.269 1.828 . . . . 0.0 110.245 174.548 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -74.37 153.11 44.89 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 124.164 3.242 . . . . 0.0 112.745 -175.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -109.69 141.17 42.65 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.54 1.136 . . . . 0.0 112.768 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -155.59 175.95 13.24 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.583 1.553 . . . . 0.0 111.846 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -141.66 149.86 41.17 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.041 0.937 . . . . 0.0 112.845 -168.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -140.96 140.39 34.39 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.562 1.945 . . . . 0.0 109.628 -176.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 12.9 t -107.02 132.61 52.75 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.42 1.009 . . . . 0.0 112.003 174.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.6 m -121.66 139.91 47.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 126.069 1.748 . . . . 0.0 108.693 -175.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -77.54 52.99 1.02 Allowed 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 122.17 0.986 . . . . 0.0 113.318 -179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 25.5 ptm -74.79 62.63 1.1 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.774 1.23 . . . . 0.0 109.817 162.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -34.77 45.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.972 1.709 . . . . 0.0 111.334 -173.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.5 p -85.39 -115.5 0.04 OUTLIER 'General case' 0 CA--C 1.563 1.462 0 C-N-CA 127.672 2.389 . . . . 0.0 112.492 166.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.19 -22.28 0.03 OUTLIER Glycine 0 CA--C 1.536 1.365 0 C-N-CA 125.683 1.611 . . . . 0.0 117.032 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.92 -10.11 72.08 Favored Glycine 0 N--CA 1.479 1.552 0 CA-C-N 120.39 2.095 . . . . 0.0 115.499 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -14.66 62.18 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 114.792 1.404 . . . . 0.0 114.792 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.08 -50.53 72.49 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.703 1.592 . . . . 0.0 112.707 -173.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.04 -37.4 87.49 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.331 -0.855 . . . . 0.0 111.731 174.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.87 -49.07 76.31 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.341 -0.849 . . . . 0.0 111.927 178.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.0 t -55.65 -40.97 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.844 1.258 . . . . 0.0 110.478 172.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.7 m -64.42 -49.99 69.32 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.937 0.495 . . . . 0.0 111.952 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -60.68 -39.36 88.17 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.028 -1.045 . . . . 0.0 112.423 174.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 17.3 t -63.18 -44.31 99.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 C-N-CA 124.596 1.158 . . . . 0.0 111.271 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.6 -44.57 86.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.309 1.043 . . . . 0.0 110.616 177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -62.97 -6.75 4.16 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -59.77 -41.5 91.18 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.47 -1.394 . . . . 0.0 111.342 163.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.9 mt -69.59 -38.07 77.17 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.56 1.144 . . . . 0.0 111.76 172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.44 143.95 3.5 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 125.288 1.423 . . . . 0.0 115.042 165.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.76 45.51 83.43 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.566 1.079 . . . . 0.0 113.537 173.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 t -117.73 147.82 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.536 1.135 . . . . 0.0 110.343 -175.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttmt -97.94 122.88 41.59 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.252 1.021 . . . . 0.0 111.615 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -157.93 160.31 37.46 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.807 1.78 . . . . 0.0 115.807 178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -136.4 136.23 39.41 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 126.307 1.843 . . . . 0.0 109.653 169.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 26.7 mt -106.82 134.9 47.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.744 1.218 . . . . 0.0 109.928 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -105.92 129.14 54.12 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 123.836 0.855 . . . . 0.0 112.817 177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.0 tp -67.76 -54.57 16.78 Favored Pre-proline 0 CA--C 1.55 0.951 0 CA-C-O 117.02 -1.467 . . . . 0.0 114.227 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.74 -37.73 0.84 Allowed 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.304 2.002 . . . . 0.0 113.528 -174.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -93.87 -0.28 55.82 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 119.761 1.164 . . . . 0.0 113.144 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 59.81 30.48 20.04 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.565 1.946 . . . . 0.0 114.344 160.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -113.72 155.39 25.67 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.48 1.112 . . . . 0.0 113.751 -177.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 18.9 t -113.0 128.56 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 C-N-CA 126.385 1.874 . . . . 0.0 107.253 170.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.0 m -111.85 118.28 35.1 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.853 0.861 . . . . 0.0 109.425 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 23.0 mt -119.72 143.62 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 C-N-CA 124.189 0.996 . . . . 0.0 112.992 -164.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -121.33 116.4 24.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.923 1.689 . . . . 0.0 109.355 158.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.9 t -143.82 165.33 27.99 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.825 1.25 . . . . 0.0 112.799 -173.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -79.88 -17.06 54.1 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 162.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -91.17 148.64 22.22 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.645 1.178 . . . . 0.0 112.45 -169.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 91.3 p -72.19 154.13 41.22 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 121.763 0.792 . . . . 0.0 113.079 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.73 -34.27 69.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 178.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -67.64 -38.49 83.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.401 0.68 . . . . 0.0 112.389 173.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -65.72 -45.89 81.0 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.328 1.051 . . . . 0.0 110.157 177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 63.0 mt -61.26 -49.76 75.8 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.826 1.25 . . . . 0.0 110.909 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 41.8 tp -63.19 -32.94 74.45 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.099 0.959 . . . . 0.0 112.739 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.59 -35.46 80.89 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.382 0.992 . . . . 0.0 113.025 175.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.9 m -68.93 -45.02 71.87 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.875 0.87 . . . . 0.0 110.707 171.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.93 -36.38 84.2 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.693 0.679 . . . . 0.0 112.438 179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -56.89 -18.92 15.0 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 7.3 tppt? -63.73 -25.48 68.22 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 119.968 1.258 . . . . 0.0 113.304 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 76.7 p -63.34 -35.13 79.36 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 125.11 1.364 . . . . 0.0 113.959 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.35 11.48 66.64 Favored Glycine 0 CA--C 1.534 1.257 0 C-N-CA 124.641 1.115 . . . . 0.0 114.147 -171.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 63.5 mttm -91.68 163.7 14.0 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.811 1.306 . . . . 0.0 113.654 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 58.9 m -73.26 103.96 4.14 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.895 1.678 . . . . 0.0 107.957 166.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 41.1 t -116.43 138.44 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.378 1.071 . . . . 0.0 110.592 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 44.1 m -136.25 142.31 43.99 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -176.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -82.27 126.86 32.6 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.442 1.097 . . . . 0.0 111.165 171.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -115.84 48.58 1.2 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.466 1.106 . . . . 0.0 110.962 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.45 176.11 50.72 Favored Glycine 0 CA--C 1.535 1.338 0 N-CA-C 117.3 1.68 . . . . 0.0 117.3 163.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.77 143.01 27.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.479 2.311 . . . . 0.0 110.521 177.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--O 1.252 1.233 0 CA-C-O 117.613 -1.184 . . . . 0.0 111.226 170.174 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.88 -13.4 5.81 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 117.346 -1.808 . . . . 0.0 115.152 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.6 m -141.68 132.79 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 119.283 1.541 . . . . 0.0 111.933 170.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -128.45 113.79 15.97 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.783 1.233 . . . . 0.0 110.492 173.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.4 m -82.62 129.67 34.98 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.144 -0.972 . . . . 0.0 111.519 175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.4 p -135.68 146.34 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.228 1.011 . . . . 0.0 110.412 172.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -111.43 136.64 50.29 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.837 1.255 . . . . 0.0 109.859 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.3 mt -124.54 117.98 52.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 126.357 1.863 . . . . 0.0 108.039 177.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.2 m -66.23 80.98 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 120.627 -1.296 . . . . 0.0 108.882 166.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.1 t -74.3 89.87 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.83 1.252 . . . . 0.0 107.899 165.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -69.56 -32.84 71.88 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.761 1.224 . . . . 0.0 113.36 -167.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.4 87.7 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 116.458 1.343 . . . . 0.0 116.458 -167.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.3 mtm -75.59 137.54 40.85 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 119.657 1.729 . . . . 0.0 113.213 -177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -175.44 50.5 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 129.398 3.079 . . . . 0.0 107.949 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 66.7 m -129.25 -171.72 2.56 Favored 'General case' 0 CA--C 1.559 1.325 0 CA-C-N 114.061 -1.427 . . . . 0.0 114.466 -141.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -141.29 -28.95 0.66 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 126.363 1.865 . . . . 0.0 113.647 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.1 p -147.37 -2.85 0.57 Allowed 'General case' 0 N--CA 1.481 1.119 0 O-C-N 120.349 -1.469 . . . . 0.0 114.829 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.2 m -47.65 -52.07 19.33 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.887 1.275 . . . . 0.0 109.269 158.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.5 m -46.49 -48.93 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 126.758 2.023 . . . . 0.0 114.065 171.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 49.0 t90 -66.16 -31.23 71.96 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.188 -0.945 . . . . 0.0 112.557 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -55.04 -52.95 61.56 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.64 1.176 . . . . 0.0 109.968 173.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 mp -57.44 -45.24 85.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 118.098 0.408 . . . . 0.0 110.395 179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.88 -37.5 79.54 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.368 0.667 . . . . 0.0 112.644 -178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -71.56 -47.25 56.25 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.593 0.757 . . . . 0.0 112.967 171.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -61.39 -47.29 86.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.009 0.924 . . . . 0.0 112.041 -177.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.417 HG23 HG21 ' A' ' 32' ' ' VAL . 38.0 mm -71.72 -41.71 70.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.286 1.435 . . . . 0.0 109.976 -177.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.37 -13.61 30.31 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.023 0.821 . . . . 0.0 114.843 169.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -93.44 -5.54 49.07 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 118.933 1.366 . . . . 0.0 113.49 174.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.74 -54.59 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 120.282 1.401 . . . . 0.0 112.556 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 134.86 -34.84 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.339 1 C-N-CA 131.741 4.016 . . . . 0.0 112.26 173.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -110.55 -0.28 29.25 Favored Glycine 0 N--CA 1.472 1.099 0 C-N-CA 125.037 1.303 . . . . 0.0 115.749 -171.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 26' ' ' ILE . 93.3 t -63.65 135.9 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 119.896 1.848 . . . . 0.0 110.66 179.068 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.5 m80 -98.5 -39.48 8.72 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.11 0.964 . . . . 0.0 112.265 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -149.89 139.88 21.97 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.346 0.976 . . . . 0.0 111.706 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.54 134.89 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 125.351 1.46 . . . . 0.0 111.131 172.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -135.37 137.48 42.39 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 126.533 1.933 . . . . 0.0 109.659 167.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -140.67 127.84 22.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 124.563 1.145 . . . . 0.0 110.808 175.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.6 m -117.66 103.35 9.94 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.577 0.751 . . . . 0.0 112.572 -157.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.11 -24.05 60.58 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -175.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -84.8 -16.54 41.11 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.239 1.016 . . . . 0.0 110.957 174.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.02 1.69 8.62 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 54.28 39.66 31.04 Favored 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 125.706 1.602 . . . . 0.0 113.241 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -154.31 167.94 28.27 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.134 -0.979 . . . . 0.0 113.26 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -137.79 126.75 24.14 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.136 2.174 . . . . 0.0 109.324 -172.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.2 m -120.05 119.28 32.91 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.036 1.335 . . . . 0.0 108.74 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -141.69 139.66 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 121.761 -0.587 . . . . 0.0 110.78 -165.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.3 mt -114.06 114.67 47.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.01 1.324 . . . . 0.0 110.522 175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -109.1 151.5 26.34 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.691 1.596 . . . . 0.0 112.718 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -78.35 124.31 85.64 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 123.202 0.601 . . . . 0.0 109.784 164.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -72.7 -21.32 21.94 Favored 'Trans proline' 0 CA--C 1.534 0.511 0 C-N-CA 122.632 2.221 . . . . 0.0 113.408 -170.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.9 mtmm -72.35 -45.75 58.5 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 121.484 -0.76 . . . . 0.0 110.319 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.3 -23.51 47.12 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.289 1.436 . . . . 0.0 114.044 -173.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -167.49 172.13 9.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.342 1.057 . . . . 0.0 112.667 -161.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.7 p -140.98 171.38 7.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 C-N-CA 126.617 1.967 . . . . 0.0 111.112 -172.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.45 -32.11 61.2 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.427 2.751 . . . . 0.0 112.851 164.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -60.07 -47.54 85.45 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.746 -0.645 . . . . 0.0 111.9 172.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.9 m -52.55 -37.07 56.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.695 1.198 . . . . 0.0 112.211 176.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.53 -45.78 57.72 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.74 1.216 . . . . 0.0 112.057 178.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.1 -39.54 95.01 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.672 -0.643 . . . . 0.0 112.018 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -65.05 -21.35 66.82 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.541 1.537 . . . . 0.0 113.464 -178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.09 -38.36 72.41 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.408 1.083 . . . . 0.0 112.849 168.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -70.12 -31.47 47.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 O-C-N 121.054 -1.029 . . . . 0.0 110.44 174.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -73.01 -6.8 47.9 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.02 -37.59 78.74 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.286 -1.508 . . . . 0.0 111.041 174.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . 0.288 0.0 OUTLIER -108.48 -115.09 0.29 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.225 1.41 . . . . 0.0 112.351 179.661 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.08 71.75 0.25 Allowed Glycine 0 N--CA 1.472 1.082 0 CA-C-N 119.489 1.041 . . . . 0.0 114.484 -171.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -141.48 167.86 21.16 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 125.507 1.523 . . . . 0.0 112.364 179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -111.21 133.12 53.79 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.234 1.814 . . . . 0.0 110.967 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.46 140.4 17.28 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.326 1.05 . . . . 0.0 112.807 -172.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.8 t -139.78 133.43 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.607 1.163 . . . . 0.0 109.342 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.2 mt -69.98 141.73 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 O-C-N 121.836 -0.54 . . . . 0.0 110.192 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.75 174.48 10.95 Favored 'General case' 0 CA--C 1.55 0.95 0 O-C-N 121.108 -0.995 . . . . 0.0 112.436 174.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 t30 . . . . . 0 C--O 1.251 1.172 0 O-C-N 120.84 -1.163 . . . . 0.0 112.884 -175.688 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 48.3 mtt . . . . . 0 N--CA 1.484 1.251 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.688 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -75.73 153.53 38.44 Favored 'Trans proline' 0 C--N 1.349 0.599 0 C-N-CA 123.93 3.087 . . . . 0.0 111.716 -177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.76 147.08 25.25 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.31 1.044 . . . . 0.0 111.641 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -139.33 124.95 19.4 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.856 1.662 . . . . 0.0 109.997 175.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -92.95 128.94 38.99 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 119.313 0.96 . . . . 0.0 111.267 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.16 153.6 31.53 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.66 1.984 . . . . 0.0 110.322 175.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 33.3 t -139.46 147.02 40.77 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.929 1.292 . . . . 0.0 112.202 -170.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.62 164.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.593 1.157 . . . . 0.0 112.129 -162.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -75.57 45.89 0.33 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 127.176 2.19 . . . . 0.0 113.464 177.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 26.1 mmt -78.67 72.46 5.2 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.057 1.743 . . . . 0.0 112.116 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 23.3 p -81.18 6.7 13.14 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.835 1.254 . . . . 0.0 113.262 168.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 47.6 t -147.41 136.5 22.33 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 125.255 1.422 . . . . 0.0 113.306 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.0 -24.97 74.93 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.803 1.192 . . . . 0.0 114.098 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.74 -39.08 77.24 Favored Glycine 0 N--CA 1.471 1.023 0 CA-C-N 119.224 1.512 . . . . 0.0 111.406 176.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 94.3 m -61.22 -41.13 96.33 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.077 0.951 . . . . 0.0 112.197 166.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.55 -30.36 70.65 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -73.14 -42.45 62.84 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.654 -1.279 . . . . 0.0 111.843 165.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.43 91.7 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.39 -30.96 50.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 CA-C-N 118.968 0.804 . . . . 0.0 112.744 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -52.71 63.86 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-N 119.163 0.892 . . . . 0.0 111.067 166.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -61.78 -39.31 91.25 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.581 0.752 . . . . 0.0 111.827 179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 46.9 t -60.84 -41.57 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.582 1.153 . . . . 0.0 112.125 175.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 65.7 mt -70.67 -35.31 72.77 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.838 0.855 . . . . 0.0 112.888 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.45 -19.62 25.13 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -63.06 -26.54 68.89 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.546 1.138 . . . . 0.0 113.093 172.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 61.0 mt -71.44 -12.66 61.51 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.833 1.253 . . . . 0.0 113.098 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.4 -149.03 17.31 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.535 1.54 . . . . 0.0 112.017 -174.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.67 43.53 1.63 Allowed Glycine 0 CA--C 1.529 0.941 0 C-N-CA 126.268 1.89 . . . . 0.0 113.997 -177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.4 m -65.91 127.95 28.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.769 0.828 . . . . 0.0 110.027 174.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -77.39 132.69 38.65 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.728 -0.608 . . . . 0.0 109.754 172.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -155.57 159.05 39.37 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -138.79 119.54 14.15 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.15 1.78 . . . . 0.0 110.531 177.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 40.7 mt -96.05 153.61 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.229 0 C-N-CA 125.726 1.61 . . . . 0.0 111.005 -175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -147.51 121.6 9.47 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.744 1.218 . . . . 0.0 113.61 176.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 36.7 tp -81.22 -40.51 1.07 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-O 116.954 -1.498 . . . . 0.0 115.02 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -69.91 -33.6 15.7 Favored 'Trans proline' 0 C--N 1.355 0.882 0 CA-C-N 122.663 1.987 . . . . 0.0 113.588 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 33.1 m-80 -94.81 -6.47 42.83 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 119.233 0.924 . . . . 0.0 113.157 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 58.2 mttp 59.37 38.26 22.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 127.388 2.275 . . . . 0.0 114.429 178.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -121.03 165.78 14.8 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.74 1.216 . . . . 0.0 114.28 -175.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 t -139.15 121.78 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 125.907 1.683 . . . . 0.0 108.093 170.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 44.3 t -91.45 123.86 35.19 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.458 0.703 . . . . 0.0 109.721 172.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.17 138.21 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.695 1.198 . . . . 0.0 109.376 176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -114.76 98.19 6.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.837 . . . . 0.0 108.559 173.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.1 t -157.18 153.69 28.08 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.715 -1.241 . . . . 0.0 113.014 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -81.18 3.94 21.92 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.598 1.559 . . . . 0.0 113.803 170.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -71.42 157.64 37.69 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-O 122.404 1.097 . . . . 0.0 113.591 174.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -69.57 141.47 53.78 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 172.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 18.5 mtm -60.25 -38.12 82.49 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.359 -0.838 . . . . 0.0 113.033 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -56.56 -36.48 69.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.815 1.188 . . . . 0.0 112.707 177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 56.5 m -70.13 -45.45 66.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.167 1.387 . . . . 0.0 110.481 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.74 -45.42 89.95 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.239 1.016 . . . . 0.0 111.386 176.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 73.0 mt -58.88 -44.22 91.09 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 125.198 1.399 . . . . 0.0 111.25 174.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -66.37 -29.1 69.2 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 40.1 m -71.64 -53.84 12.31 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.624 1.169 . . . . 0.0 111.073 168.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.47 -38.44 74.52 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.298 1.039 . . . . 0.0 112.778 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -46.25 -36.08 5.82 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.388 1.875 . . . . 0.0 113.356 174.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -65.6 -12.5 53.76 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.855 1.262 . . . . 0.0 113.933 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 81.4 p -64.66 -13.83 55.7 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.497 1.119 . . . . 0.0 113.428 167.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 73.02 9.52 76.27 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 125.987 1.756 . . . . 0.0 113.378 -175.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -100.48 137.1 39.34 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 126.182 1.793 . . . . 0.0 110.007 176.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 39.4 m -59.9 99.09 0.06 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.054 1.342 . . . . 0.0 110.699 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.06 138.99 18.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 123.568 0.747 . . . . 0.0 112.315 -178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 58.1 m -139.94 142.49 36.41 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.181 1.392 . . . . 0.0 110.584 169.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -75.86 136.88 40.15 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 120.874 -1.141 . . . . 0.0 110.484 166.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 55.0 mt -142.54 73.82 1.42 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.692 1.597 . . . . 0.0 111.207 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 85.45 -173.18 47.67 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 117.562 1.785 . . . . 0.0 117.562 153.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -92.49 153.98 18.76 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.809 2.044 . . . . 0.0 112.424 -173.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.343 1.457 . . . . 0.0 111.856 179.022 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.98 -170.36 17.58 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 124.856 1.217 . . . . 0.0 114.567 172.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.4 m -149.18 147.53 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 C-N-CA 126.493 1.917 . . . . 0.0 111.767 -174.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -124.41 125.95 45.13 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.367 1.467 . . . . 0.0 109.994 168.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 t -89.75 138.7 31.26 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.025 -1.047 . . . . 0.0 111.22 171.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.0 p -153.51 157.44 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 123.8 0.84 . . . . 0.0 111.311 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 73' ' ' ASN . 87.2 m -132.64 141.79 48.81 Favored 'General case' 0 N--CA 1.466 0.326 0 C-N-CA 126.367 1.867 . . . . 0.0 108.637 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.8 mt -125.11 117.91 51.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 125.524 1.53 . . . . 0.0 108.144 -179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -62.64 98.12 0.11 Allowed 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.196 -1.038 . . . . 0.0 108.196 165.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.01 66.62 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-O 123.489 1.614 . . . . 0.0 108.672 176.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -53.57 -21.04 5.84 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 126.752 2.021 . . . . 0.0 115.696 -169.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 3.47 60.6 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 125.131 1.348 . . . . 0.0 115.583 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -115.18 135.92 53.66 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.231 1.413 . . . . 0.0 110.109 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -165.11 11.69 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.346 1.458 . . . . 0.0 113.731 -163.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . 0.283 12.5 p -150.44 -167.97 2.97 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 115.257 1.577 . . . . 0.0 115.257 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -99.77 -26.37 14.06 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -130.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 65.6 m -108.55 -4.96 16.75 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.838 0.855 . . . . 0.0 112.335 165.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -60.67 -52.09 66.63 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.057 1.743 . . . . 0.0 109.33 172.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -47.42 -50.82 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.771 1.628 . . . . 0.0 112.898 171.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -59.0 -32.51 69.77 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.165 0.986 . . . . 0.0 112.616 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -58.52 -51.68 68.86 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.561 1.144 . . . . 0.0 110.998 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD12 ' H ' ' A' ' 22' ' ' ILE . 3.0 mp -58.0 -43.55 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 123.318 0.647 . . . . 0.0 110.238 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -61.55 -32.6 72.68 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.823 1.249 . . . . 0.0 112.083 -178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -77.41 -44.12 30.25 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -73.17 -42.47 62.73 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.26 1.424 . . . . 0.0 113.132 -172.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -73.29 -44.73 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 123.364 0.666 . . . . 0.0 110.497 175.281 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -49.23 -30.5 11.03 Favored Glycine 0 N--CA 1.474 1.211 0 C-N-CA 126.18 1.848 . . . . 0.0 115.076 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -71.32 -22.02 61.99 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.301 1.44 . . . . 0.0 112.506 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.15 100.31 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 172.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -42.94 -27.95 0.22 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.869 2.068 . . . . 0.0 115.953 -176.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.97 -5.23 69.65 Favored Glycine 0 CA--C 1.528 0.883 0 CA-C-O 118.433 -1.204 . . . . 0.0 116.088 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.4 m -71.08 121.2 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 CA-C-N 120.268 2.034 . . . . 0.0 108.639 169.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -89.39 -45.31 9.56 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.793 -0.567 . . . . 0.0 110.321 -175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -156.5 117.33 3.72 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 123.943 0.897 . . . . 0.0 112.155 172.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.36 134.32 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.772 1.229 . . . . 0.0 113.312 176.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -122.31 145.08 48.58 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.386 1.874 . . . . 0.0 109.789 156.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.84 130.76 31.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 120.642 -1.287 . . . . 0.0 110.461 164.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.5 t -118.75 116.9 27.51 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.724 1.609 . . . . 0.0 111.016 -168.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pp -73.74 -31.69 63.48 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -174.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -88.81 -18.32 27.94 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -86.51 -17.92 32.88 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.376 -0.828 . . . . 0.0 111.715 164.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt 57.75 33.49 23.29 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.778 2.031 . . . . 0.0 111.859 -173.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 22.6 p-10 -130.06 153.24 48.66 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.549 1.14 . . . . 0.0 112.291 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.67 113.06 19.2 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.954 2.101 . . . . 0.0 108.403 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 60.2 m -114.06 130.64 56.55 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.238 1.415 . . . . 0.0 110.35 -170.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.2 tt -151.55 139.6 14.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 O-C-N 120.796 -1.19 . . . . 0.0 112.755 -167.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 33.3 mt -100.49 133.44 43.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 159.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -129.06 153.66 47.41 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.102 1.361 . . . . 0.0 113.15 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.29 131.4 46.34 Favored Pre-proline 0 CA--C 1.545 0.772 0 C-N-CA 126.602 1.961 . . . . 0.0 111.21 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.5 -22.26 33.55 Favored 'Trans proline' 0 CA--C 1.537 0.633 0 C-N-CA 122.928 2.418 . . . . 0.0 114.425 -169.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -87.84 -38.72 15.44 Favored 'General case' 0 N--CA 1.475 0.78 0 CA-C-N 120.007 1.276 . . . . 0.0 112.907 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.0 mt -96.86 -10.22 26.97 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.651 1.181 . . . . 0.0 113.686 -170.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -140.03 165.21 27.95 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.615 1.166 . . . . 0.0 112.5 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.8 p -146.54 155.96 49.14 Favored Pre-proline 0 N--CA 1.477 0.919 0 C-N-CA 126.249 1.819 . . . . 0.0 110.4 174.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -61.74 -28.79 82.44 Favored 'Trans proline' 0 CA--C 1.538 0.724 0 C-N-CA 122.215 1.944 . . . . 0.0 112.157 177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -70.1 -42.24 72.96 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.011 -1.056 . . . . 0.0 112.433 173.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 49.7 m -63.34 -27.77 69.54 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 119.465 1.029 . . . . 0.0 112.032 174.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.41 -49.44 69.23 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.697 1.199 . . . . 0.0 111.945 168.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -58.75 -42.69 89.46 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 119.189 0.904 . . . . 0.0 112.199 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.2 mt-10 -69.88 -20.69 63.38 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.452 1.101 . . . . 0.0 113.745 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.44 -30.97 67.95 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 170.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 8.8 mm -72.66 -41.28 62.69 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 123.196 0.598 . . . . 0.0 111.094 169.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -74.26 -11.83 60.38 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -164.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -61.99 -35.8 79.58 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 119.378 0.99 . . . . 0.0 112.447 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.46 28.91 8.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 127.388 2.275 . . . . 0.0 111.525 175.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -54.8 119.4 12.57 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 118.43 2.132 . . . . 0.0 118.43 -129.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -74.1 -178.04 3.18 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.033 1.733 . . . . 0.0 111.037 157.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -99.56 137.38 38.13 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.36 146.27 24.45 Favored 'General case' 0 CA--C 1.544 0.731 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -170.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.9 t -148.59 138.59 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 126.299 1.839 . . . . 0.0 110.102 -177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.9 mt -82.45 128.7 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.077 1.308 . . . . 0.0 111.834 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -163.77 105.96 0.95 Allowed 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.608 -0.682 . . . . 0.0 111.674 -171.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.464 ' HB2' ' H ' ' A' ' 7' ' ' THR . 46.9 t30 . . . . . 0 C--O 1.253 1.281 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 -169.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.266 1.6 mpt? . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 114.601 -2.619 . . . . 0.0 108.986 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -79.04 173.64 13.2 Favored 'Trans proline' 0 C--N 1.354 0.865 0 CA-C-N 124.742 2.729 . . . . 0.0 111.246 172.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -108.45 153.94 22.59 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.228 1.011 . . . . 0.0 112.691 162.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.98 153.16 34.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.001 1.32 . . . . 0.0 111.292 -177.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -118.06 146.74 43.87 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.865 1.266 . . . . 0.0 111.05 -171.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -146.91 156.8 43.36 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.364 1.866 . . . . 0.0 110.914 -172.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 28.2 t -142.17 146.14 34.95 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 125.224 1.409 . . . . 0.0 112.463 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.5 m -142.43 146.61 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.233 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -163.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -78.94 21.69 0.41 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 126.758 2.023 . . . . 0.0 114.801 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.03 140.03 48.82 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 120.5 -1.375 . . . . 0.0 111.861 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 75.0 p -121.15 -10.97 8.92 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.227 1.411 . . . . 0.0 114.352 -175.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.5 p -165.41 164.87 19.58 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.376 1.471 . . . . 0.0 112.223 -159.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.97 -28.84 73.99 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 124.796 1.189 . . . . 0.0 115.91 -159.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.45 -62.47 3.25 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 118.666 1.233 . . . . 0.0 111.508 175.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.9 p -62.01 -20.72 64.21 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.31 -62.35 1.42 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.824 1.25 . . . . 0.0 112.126 163.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -56.56 -28.91 61.29 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.992 1.269 . . . . 0.0 112.702 -176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.01 -37.55 45.85 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 169.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.18 -34.58 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.001 0 CA-C-N 119.42 1.009 . . . . 0.0 110.966 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 14.0 m -62.42 -49.71 74.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.167 0.587 . . . . 0.0 110.133 171.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -60.01 -43.62 95.11 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.669 0.788 . . . . 0.0 112.363 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.8 t -70.44 -40.9 78.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.622 0.769 . . . . 0.0 112.173 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 51.7 mt -63.35 -39.7 95.27 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.291 0.95 . . . . 0.0 111.951 173.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -66.25 -15.16 62.97 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.044 1.128 . . . . 0.0 114.044 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -70.27 -48.59 56.11 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 120.301 1.41 . . . . 0.0 111.828 169.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -65.81 -43.65 88.02 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.606 1.562 . . . . 0.0 110.755 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.45 160.78 23.44 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.337 0.97 . . . . 0.0 115.128 163.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.16 28.72 63.67 Favored Glycine 0 CA--C 1.527 0.825 0 C-N-CA 125.325 1.44 . . . . 0.0 114.368 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.0 m -121.47 122.93 68.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 C-N-CA 125.088 1.355 . . . . 0.0 111.533 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -87.52 127.46 35.25 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.632 1.173 . . . . 0.0 110.11 168.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -157.48 165.39 35.76 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -145.69 138.68 26.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.856 1.663 . . . . 0.0 110.287 166.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.76 129.88 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 125.82 1.648 . . . . 0.0 108.987 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -96.89 115.46 27.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.0 1.32 . . . . 0.0 110.692 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.84 -46.14 3.98 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 117.3 -1.333 . . . . 0.0 112.705 -169.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -61.5 -55.67 1.1 Allowed 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.165 1.91 . . . . 0.0 112.222 173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -80.77 -21.19 41.24 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -168.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm 73.05 27.15 2.08 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.526 1.93 . . . . 0.0 113.008 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.6 pttt -103.14 167.43 9.83 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.871 1.269 . . . . 0.0 113.052 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.0 t -140.17 138.06 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 126.102 1.761 . . . . 0.0 107.196 170.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 49.6 t -116.12 130.97 57.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.589 0.632 . . . . 0.0 109.936 167.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 78.7 mt -114.69 147.73 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.945 1.698 . . . . 0.0 109.794 -173.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.59 107.95 15.35 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.349 1.86 . . . . 0.0 109.302 164.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 23.2 t -132.35 165.12 24.95 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -171.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -89.45 -11.98 41.5 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.778 1.231 . . . . 0.0 113.622 164.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -90.71 178.07 6.16 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.369 1.468 . . . . 0.0 111.999 -178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 57.3 m -107.76 155.57 20.07 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 120.995 -1.066 . . . . 0.0 112.111 174.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.73 -37.84 43.99 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 115.349 1.611 . . . . 0.0 115.349 -176.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -60.38 -38.7 84.73 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.702 1.201 . . . . 0.0 112.637 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 94.2 m -70.92 -45.24 64.59 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.244 1.818 . . . . 0.0 110.591 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.83 -40.16 96.56 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.941 0.496 . . . . 0.0 111.707 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.36 -41.51 97.18 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.607 1.163 . . . . 0.0 112.034 171.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.26 -26.77 68.24 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.139 0.881 . . . . 0.0 113.145 178.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.2 m -72.85 -58.56 3.25 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.321 1.049 . . . . 0.0 110.553 165.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 mt -58.0 -32.58 68.04 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -172.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -57.29 -26.09 60.3 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.257 0.935 . . . . 0.0 113.417 174.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -64.88 -13.55 56.88 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.657 1.183 . . . . 0.0 113.448 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.2 p -66.72 -17.57 64.93 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.049 -1.032 . . . . 0.0 112.951 167.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 70.51 65.93 2.35 Favored Glycine 0 C--N 1.342 0.887 0 C-N-CA 125.76 1.648 . . . . 0.0 110.932 -176.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -157.96 156.91 32.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.977 1.311 . . . . 0.0 114.277 -171.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 19.3 m -69.78 109.06 4.21 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 162.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -120.71 137.8 53.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 125.886 1.674 . . . . 0.0 111.346 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 26.9 m -128.6 144.73 51.21 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.252 1.021 . . . . 0.0 112.855 -177.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -96.64 136.4 37.22 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.809 1.644 . . . . 0.0 111.178 169.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 97.5 mt -132.36 54.81 1.92 Allowed 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 126.218 1.807 . . . . 0.0 111.97 -172.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 90.0 162.92 38.76 Favored Glycine 0 CA--C 1.534 1.267 0 N-CA-C 116.537 1.375 . . . . 0.0 116.537 165.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.6 tp -100.66 145.41 28.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 127.204 2.202 . . . . 0.0 109.547 175.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 124.639 1.176 . . . . 0.0 113.749 -175.364 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.6 mtt . . . . . 0 N--CA 1.48 1.06 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.63 -162.63 31.82 Favored Glycine 0 N--CA 1.474 1.22 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -165.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.7 m -59.76 136.54 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 118.778 1.289 . . . . 0.0 113.099 -176.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -135.29 140.36 45.09 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.829 2.052 . . . . 0.0 108.242 171.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -143.16 165.07 28.43 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.198 -1.564 . . . . 0.0 114.258 -168.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.2 p -150.24 144.24 17.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 C-N-CA 123.149 0.579 . . . . 0.0 111.675 177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 m -103.03 127.13 50.39 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.534 1.533 . . . . 0.0 107.699 165.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.7 mt -122.18 128.25 75.48 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 126.39 1.876 . . . . 0.0 108.156 179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.3 t -77.33 113.84 15.53 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 163.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 m -90.68 70.95 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.356 1.462 . . . . 0.0 107.2 174.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -44.93 -27.75 0.58 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 128.087 2.555 . . . . 0.0 115.779 -170.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.9 -17.5 30.06 Favored Glycine 0 CA--C 1.54 1.608 0 N-CA-C 116.067 1.187 . . . . 0.0 116.067 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.2 ttp -86.65 103.81 15.47 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.412 1.485 . . . . 0.0 111.425 -173.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.4 t -153.16 136.55 15.82 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.026 1.73 . . . . 0.0 108.468 166.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 13.1 t -169.73 -143.84 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.368 0 C-N-CA 124.167 0.987 . . . . 0.0 112.359 -149.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -142.63 -23.58 0.65 Allowed 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.913 2.485 . . . . 0.0 112.101 154.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.9 m -137.61 -6.14 1.74 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 116.15 1.907 . . . . 0.0 116.15 -171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 62.7 m -55.03 -26.3 36.34 Favored 'General case' 0 CA--C 1.555 1.157 0 C-N-CA 126.852 2.061 . . . . 0.0 112.864 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.59 -34.08 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 127.108 2.163 . . . . 0.0 114.434 175.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 50.8 t90 -59.86 -36.69 77.42 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.638 0.775 . . . . 0.0 112.01 177.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.1 m -55.89 -53.37 57.58 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.303 1.441 . . . . 0.0 110.469 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 mp -61.0 -44.81 98.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 123.139 0.575 . . . . 0.0 109.704 -176.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -62.25 -41.02 98.07 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.672 0.669 . . . . 0.0 112.307 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -72.9 -26.08 61.3 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 114.641 1.348 . . . . 0.0 114.641 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -73.17 -59.33 2.76 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.856 1.207 . . . . 0.0 111.455 167.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mm -71.04 -43.5 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 125.369 1.467 . . . . 0.0 111.071 -167.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.49 -8.58 14.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.468 1.032 . . . . 0.0 114.976 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.79 -2.16 20.24 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.744 2.018 . . . . 0.0 113.684 173.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.5 t -81.11 105.45 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 120.435 1.47 . . . . 0.0 107.836 171.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -32.61 -36.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 128.46 2.704 . . . . 0.0 118.161 -168.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.11 -14.72 71.29 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-O 118.534 -1.148 . . . . 0.0 115.722 -176.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.4 m -58.68 145.35 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 120.289 2.045 . . . . 0.0 112.741 -176.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -118.62 -35.09 3.81 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.95 1.3 . . . . 0.0 112.229 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.14 141.96 17.97 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 120.847 -1.158 . . . . 0.0 112.52 165.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.79 132.26 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.415 1.086 . . . . 0.0 111.775 170.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -131.23 142.51 50.17 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.034 1.734 . . . . 0.0 110.607 169.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -143.43 121.08 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.485 1.514 . . . . 0.0 110.305 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.9 m -112.33 95.08 5.25 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.798 1.239 . . . . 0.0 110.785 -177.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 pp -61.71 -26.58 68.13 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.986 1.315 . . . . 0.0 113.745 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -74.56 -16.47 60.82 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.743 1.217 . . . . 0.0 112.231 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -133.7 24.49 4.01 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.665 1.586 . . . . 0.0 112.972 176.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.2 mttt 48.4 34.88 5.07 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 127.411 2.284 . . . . 0.0 114.764 170.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -136.52 153.23 51.07 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 119.93 -1.731 . . . . 0.0 114.151 -173.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.23 129.36 44.9 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 128.011 2.524 . . . . 0.0 109.551 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.5 m -132.05 117.46 18.39 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.008 1.323 . . . . 0.0 108.78 -170.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -148.32 136.22 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 O-C-N 121.409 -0.807 . . . . 0.0 112.529 -159.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.0 mt -117.53 130.89 71.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 126.607 1.963 . . . . 0.0 110.086 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -143.37 163.35 33.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.969 2.107 . . . . 0.0 112.659 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -78.19 120.82 82.62 Favored Pre-proline 0 CA--C 1.549 0.911 0 C-N-CA 124.745 1.218 . . . . 0.0 110.236 173.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -66.48 -16.8 52.24 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.413 2.742 . . . . 0.0 112.952 -177.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -75.48 -24.05 56.86 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 175.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.32 -21.74 12.39 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.235 1.014 . . . . 0.0 113.702 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -141.42 153.59 45.11 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.211 1.369 . . . . 0.0 113.438 -169.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 35.2 p -125.21 161.66 48.48 Favored Pre-proline 0 N--CA 1.468 0.459 0 C-N-CA 126.846 2.058 . . . . 0.0 108.978 171.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.36 -29.94 60.64 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.822 2.348 . . . . 0.0 112.687 170.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -58.64 -43.47 89.76 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.112 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.7 m -49.69 -42.86 46.76 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.038 1.29 . . . . 0.0 111.433 172.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.42 -43.07 67.45 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.406 1.083 . . . . 0.0 112.298 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.82 -42.1 99.59 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 123.438 0.695 . . . . 0.0 111.841 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -68.61 -28.1 66.61 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -177.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.77 -34.39 71.39 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 21.8 mm -70.24 -24.73 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.832 1.653 . . . . 0.0 112.904 -177.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -70.34 -14.72 62.7 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -167.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -64.99 -45.92 83.58 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.248 1.019 . . . . 0.0 110.918 175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -74.98 -159.5 0.09 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.594 1.158 . . . . 0.0 111.057 174.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -121.09 61.05 0.53 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 125.685 1.612 . . . . 0.0 112.092 175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -121.75 -177.41 3.56 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.891 0.876 . . . . 0.0 111.345 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -135.89 150.55 49.39 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.403 1.481 . . . . 0.0 107.875 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.22 146.62 22.93 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -175.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.4 t -146.4 134.88 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.164 1.785 . . . . 0.0 109.399 -175.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -73.92 138.25 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 O-C-N 121.467 -0.771 . . . . 0.0 111.445 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.08 28.84 0.74 Allowed 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -168.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.256 1.425 0 C-N-CA 125.12 1.368 . . . . 0.0 114.634 177.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 53.7 mtt . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 118.413 -0.803 . . . . 0.0 110.375 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.84 146.46 59.75 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.667 2.911 . . . . 0.0 111.162 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -93.14 146.81 23.39 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.147 0.498 . . . . 0.0 111.731 162.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -151.56 160.36 43.71 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.71 1.604 . . . . 0.0 111.279 -176.105 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -125.27 145.41 50.01 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.737 1.215 . . . . 0.0 111.494 -167.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -141.94 154.99 45.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.423 1.889 . . . . 0.0 110.333 -178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 10.3 t -135.0 133.72 39.75 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.883 1.273 . . . . 0.0 111.889 177.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 m -122.45 156.36 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.334 1.453 . . . . 0.0 110.641 -172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.9 6.31 32.58 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.0 ptt? -73.28 121.76 20.89 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 120.378 -1.451 . . . . 0.0 112.051 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 22.1 p -80.01 -21.16 43.9 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.912 1.285 . . . . 0.0 113.599 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 14.3 p -145.01 168.78 19.47 Favored 'General case' 0 CA--C 1.554 1.118 0 CA-C-O 123.191 1.472 . . . . 0.0 114.85 -140.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.25 -24.78 76.41 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 125.232 1.396 . . . . 0.0 115.009 -167.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.35 -60.47 5.88 Favored Glycine 0 C--N 1.341 0.813 0 CA-C-N 118.488 1.144 . . . . 0.0 111.212 -176.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 11.1 m -62.44 -31.42 72.13 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 118.215 -0.898 . . . . 0.0 113.098 173.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.04 71.28 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.419 1.009 . . . . 0.0 113.359 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -72.36 -54.53 9.17 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.591 -0.693 . . . . 0.0 110.733 162.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.88 -44.57 70.56 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -173.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.6 p -60.06 -26.1 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.024 0.93 . . . . 0.0 112.196 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 51.4 p -69.11 -46.84 66.7 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.317 -0.864 . . . . 0.0 111.263 173.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -66.29 -33.46 75.8 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.815 0.846 . . . . 0.0 112.449 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.13 -48.59 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 124.591 1.156 . . . . 0.0 111.259 172.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 35.7 mt -68.29 -39.89 81.97 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -65.71 -9.8 31.02 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -175.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -63.04 -25.55 68.43 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.834 -1.166 . . . . 0.0 113.495 167.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.76 -17.51 62.18 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.685 1.194 . . . . 0.0 113.558 170.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 101.35 -151.39 18.71 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 126.047 1.785 . . . . 0.0 112.01 -172.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.13 53.21 2.2 Favored Glycine 0 CA--C 1.533 1.196 0 C-N-CA 125.417 1.484 . . . . 0.0 115.014 -172.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 m -71.51 140.46 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 124.64 1.176 . . . . 0.0 111.89 176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -89.9 129.07 36.3 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.5 1.52 . . . . 0.0 110.717 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -155.2 154.41 32.19 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -140.79 131.58 25.83 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.298 1.039 . . . . 0.0 111.964 172.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 68.9 mt -107.09 128.39 62.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 127.644 2.378 . . . . 0.0 108.316 -171.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -105.75 101.71 11.2 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 123.422 0.689 . . . . 0.0 109.212 167.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 16.3 tp -67.05 -32.79 5.11 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 116.528 -1.701 . . . . 0.0 114.429 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -59.98 -54.11 2.59 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.157 2.571 . . . . 0.0 113.235 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -78.45 -26.12 46.1 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 30.4 mtmm 75.27 27.62 1.07 Allowed 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 128.628 2.771 . . . . 0.0 113.391 -176.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -92.82 155.28 17.73 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.405 1.082 . . . . 0.0 112.091 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 25.7 t -134.05 130.87 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 125.02 1.328 . . . . 0.0 107.749 170.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 76.2 m -111.16 125.31 53.66 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.779 0.832 . . . . 0.0 109.055 176.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 41.6 mt -119.19 154.59 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.788 1.235 . . . . 0.0 109.294 -172.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -136.17 98.38 3.84 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.784 1.633 . . . . 0.0 109.031 173.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 46.2 t -142.96 156.26 44.84 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.208 1.003 . . . . 0.0 113.392 -174.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.93 -18.93 61.98 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 174.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -81.41 155.07 26.08 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.022 0.929 . . . . 0.0 112.303 -173.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 13.4 m -77.48 153.52 33.42 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.325 -0.859 . . . . 0.0 112.215 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -57.33 -31.41 65.67 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 -175.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.99 -40.22 94.89 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.727 1.211 . . . . 0.0 112.494 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 26.4 m -70.27 -41.35 73.55 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.986 1.714 . . . . 0.0 110.552 179.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.0 mt -64.91 -45.26 86.62 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.144 0.978 . . . . 0.0 110.741 175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 mt -57.63 -45.59 85.24 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.889 0.768 . . . . 0.0 111.96 170.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.42 -34.87 74.58 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.002 0.819 . . . . 0.0 112.838 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 3.4 m -71.17 -54.45 10.96 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.905 0.882 . . . . 0.0 110.919 169.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.31 -36.43 68.66 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.183 0.901 . . . . 0.0 113.171 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt -56.22 -24.77 44.25 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.943 1.297 . . . . 0.0 113.902 174.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -66.38 -17.5 64.81 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.221 -1.55 . . . . 0.0 113.351 174.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 2.3 m -63.13 -13.15 33.28 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.709 1.204 . . . . 0.0 112.603 169.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.24 49.46 39.53 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 119.155 0.888 . . . . 0.0 111.136 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 4.6 tppt? -146.51 147.53 31.26 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 125.511 1.524 . . . . 0.0 110.594 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 22.5 m -72.09 104.74 3.69 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.87 141.94 31.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 125.727 1.611 . . . . 0.0 111.408 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 33.2 m -128.79 141.9 51.16 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.047 1.339 . . . . 0.0 112.731 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -95.28 140.14 30.61 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.496 1.518 . . . . 0.0 111.0 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.8 mt -136.48 53.53 1.92 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.773 1.229 . . . . 0.0 112.197 -170.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.4 177.67 50.35 Favored Glycine 0 CA--C 1.533 1.168 0 N-CA-C 116.3 1.28 . . . . 0.0 116.3 165.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.63 154.71 18.84 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.019 1.728 . . . . 0.0 111.095 171.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 C--O 1.256 1.397 0 C-N-CA 124.706 1.202 . . . . 0.0 112.076 169.118 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -102.85 118.99 6.27 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.92 140.18 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.118 0 CA-C-N 118.439 1.12 . . . . 0.0 112.785 -170.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -132.0 120.71 22.81 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.102 0.961 . . . . 0.0 109.598 168.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -113.51 121.03 43.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.631 1.572 . . . . 0.0 110.838 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.6 t -130.84 144.01 39.16 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.272 0 C-N-CA 124.372 1.069 . . . . 0.0 111.113 -175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.0 m -110.45 137.96 47.47 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.861 1.264 . . . . 0.0 111.548 170.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 mt -126.99 125.01 65.78 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 127.241 2.216 . . . . 0.0 108.643 -178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 m -66.4 79.96 0.1 Allowed 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.581 1.153 . . . . 0.0 109.264 167.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.3 t -74.48 74.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.982 1.313 . . . . 0.0 108.837 169.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -65.18 -17.24 64.32 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.609 1.564 . . . . 0.0 114.112 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -75.56 -11.51 84.34 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.417 1.008 . . . . 0.0 114.768 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 36.2 ttp -108.67 114.77 28.85 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.049 1.34 . . . . 0.0 111.282 -171.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 62.8 p -137.63 8.96 2.86 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.982 1.313 . . . . 0.0 114.244 -174.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -141.25 163.52 32.74 Favored 'General case' 0 CA--C 1.558 1.255 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -173.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -78.53 -11.4 59.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.817 1.647 . . . . 0.0 114.655 -160.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.1 p -106.54 -22.07 12.88 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.544 1.065 . . . . 0.0 112.812 171.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 73.7 m -58.57 -40.39 82.96 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 120.432 -1.418 . . . . 0.0 111.071 170.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -58.87 -29.35 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.631 1.173 . . . . 0.0 113.774 172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 75.4 t90 -71.91 -44.9 62.93 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.096 0.862 . . . . 0.0 111.107 169.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.1 m -57.62 -41.33 81.1 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-O 117.53 -1.224 . . . . 0.0 111.822 178.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.1 mm -55.19 -57.69 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 CA-C-N 119.708 1.14 . . . . 0.0 111.116 173.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -56.32 -37.23 69.65 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.058 1.743 . . . . 0.0 111.704 -177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 tm0? -71.23 -38.18 71.97 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.108 1.363 . . . . 0.0 112.313 176.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -74.6 -42.06 59.34 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.726 1.148 . . . . 0.0 112.957 175.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.52 -44.42 79.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 124.051 0.94 . . . . 0.0 110.851 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.45 -12.03 8.24 Favored Glycine 0 CA--C 1.539 1.544 0 N-CA-C 115.61 1.004 . . . . 0.0 115.61 178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -81.79 -22.21 37.28 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.945 1.372 . . . . 0.0 113.614 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.9 t -89.67 93.49 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -32.37 -44.08 0.09 Allowed 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 127.954 2.501 . . . . 0.0 115.483 -171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -67.24 -16.11 66.46 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 116.47 1.348 . . . . 0.0 116.47 -175.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.5 m -66.63 140.93 18.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.91 1.855 . . . . 0.0 111.07 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -113.44 -39.48 4.09 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t-80 -151.71 119.65 6.22 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.373 0.988 . . . . 0.0 111.226 178.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.14 137.41 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.161 1.385 . . . . 0.0 112.778 173.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 55.8 tttm -134.46 145.89 49.27 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.681 1.993 . . . . 0.0 110.188 166.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.28 137.03 23.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 124.788 1.235 . . . . 0.0 112.037 177.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.8 m -115.38 108.01 15.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.847 1.659 . . . . 0.0 111.964 -175.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pp -78.15 -18.15 55.95 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -91.87 -22.6 20.0 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.435 -0.791 . . . . 0.0 111.882 174.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -95.26 -20.13 19.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.239 1.016 . . . . 0.0 112.69 176.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 61.81 47.21 6.29 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.908 2.083 . . . . 0.0 111.515 -175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -139.91 163.62 32.16 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 122.036 0.922 . . . . 0.0 113.48 179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -130.81 128.14 40.08 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.806 2.042 . . . . 0.0 108.901 -178.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.3 m -123.69 126.81 47.21 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.674 1.19 . . . . 0.0 108.442 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.3 tt -140.73 140.89 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 O-C-N 121.806 -0.559 . . . . 0.0 112.358 -172.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 mt -97.93 132.34 43.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.587 1.155 . . . . 0.0 109.173 164.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -140.47 158.67 43.65 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.768 1.627 . . . . 0.0 112.955 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -82.28 116.17 62.02 Favored Pre-proline 0 CA--C 1.542 0.664 0 C-N-CA 125.365 1.466 . . . . 0.0 110.012 169.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -67.21 -12.35 35.63 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 C-N-CA 123.032 2.488 . . . . 0.0 114.112 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -70.65 -38.58 73.84 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 119.943 1.247 . . . . 0.0 112.229 169.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.57 -24.3 14.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.157 1.383 . . . . 0.0 113.605 -174.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -129.31 167.84 17.12 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.651 1.581 . . . . 0.0 112.342 -171.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.1 p -154.78 156.31 31.29 Favored Pre-proline 0 N--CA 1.481 1.078 0 C-N-CA 127.447 2.299 . . . . 0.0 110.306 177.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.0 -35.09 98.78 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 123.009 2.472 . . . . 0.0 112.747 170.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tptm -59.39 -44.84 92.71 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.209 -0.932 . . . . 0.0 112.446 170.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 57.0 m -66.54 -29.15 69.16 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.509 178.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.77 -50.43 66.84 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.227 0.921 . . . . 0.0 111.254 169.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -57.01 -40.49 76.72 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.683 0.793 . . . . 0.0 111.656 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -66.53 -28.95 68.95 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.238 1.415 . . . . 0.0 113.367 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.92 -22.89 63.16 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.351 -0.843 . . . . 0.0 112.63 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.3 mm -71.06 -23.06 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.52 1.528 . . . . 0.0 112.116 175.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -72.05 -9.05 57.85 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.822 1.249 . . . . 0.0 113.743 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -70.21 -41.41 73.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.169 1.387 . . . . 0.0 112.982 -172.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.69 -112.43 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 126.529 1.932 . . . . 0.0 110.742 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.73 74.18 0.23 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-N 120.182 1.356 . . . . 0.0 114.21 178.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -130.73 -178.23 4.7 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.745 1.218 . . . . 0.0 111.73 -175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -131.01 147.67 52.66 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 126.196 1.798 . . . . 0.0 109.339 172.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -153.39 146.04 24.23 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.816 0.846 . . . . 0.0 113.17 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 83.7 t -139.11 136.78 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 126.163 1.785 . . . . 0.0 109.098 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 59.9 mt -80.93 131.38 34.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 O-C-N 121.002 -1.061 . . . . 0.0 111.235 -174.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -149.74 71.54 1.1 Allowed 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.766 1.025 . . . . 0.0 113.766 -169.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 C--O 1.251 1.178 0 C-N-CA 125.673 1.589 . . . . 0.0 114.196 -174.484 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 11.9 mmt . . . . . 0 N--CA 1.48 1.062 0 CA-C-O 119.235 -0.412 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -63.98 161.0 34.94 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.779 2.986 . . . . 0.0 113.011 170.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.36 157.84 45.88 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.216 1.006 . . . . 0.0 112.238 159.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.9 m-70 -130.18 132.77 46.17 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.6 1.16 . . . . 0.0 110.52 -162.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -105.44 128.39 53.51 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.814 1.246 . . . . 0.0 110.6 -178.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -130.46 151.72 50.63 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.243 1.817 . . . . 0.0 110.366 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 21.4 m -129.34 137.59 51.07 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.489 -0.757 . . . . 0.0 112.301 170.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.45 152.71 26.82 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 125.383 1.473 . . . . 0.0 111.053 -168.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -74.24 36.63 0.1 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.274 1.83 . . . . 0.0 113.117 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.2 ttp -76.78 54.29 0.98 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 127.835 2.454 . . . . 0.0 110.807 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 88.1 m -57.07 -35.39 69.3 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.331 1.853 . . . . 0.0 112.53 -171.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 21.5 p -80.85 -120.83 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.362 1.465 . . . . 0.0 112.588 171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.96 -20.65 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 116.909 1.523 . . . . 0.0 116.909 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -65.93 -36.64 92.34 Favored Glycine 0 N--CA 1.472 1.043 0 CA-C-N 119.805 1.803 . . . . 0.0 111.905 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -48.97 -22.9 0.95 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.46 -26.55 65.31 Favored 'General case' 0 CA--C 1.546 0.827 0 CA-C-N 119.964 1.257 . . . . 0.0 113.308 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -69.75 -54.55 13.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.707 -0.663 . . . . 0.0 111.539 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.91 72.27 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.993 1.27 . . . . 0.0 112.649 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 54.2 t -55.72 -44.41 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.175 0.99 . . . . 0.0 110.734 172.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.7 p -64.12 -35.1 79.66 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 119.252 0.933 . . . . 0.0 113.306 175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -70.14 -45.97 65.7 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 118.864 0.756 . . . . 0.0 111.76 174.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.9 t -65.11 -40.94 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.275 1.03 . . . . 0.0 111.656 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 81.4 mt -66.06 -36.05 82.17 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.395 -0.816 . . . . 0.0 112.131 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 15.7 t30 -62.34 -18.71 62.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -70.13 -26.44 63.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.601 1.091 . . . . 0.0 112.839 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.46 -58.87 3.03 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.613 0.765 . . . . 0.0 110.986 156.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.97 -42.99 2.91 Favored Glycine 0 N--CA 1.474 1.17 0 C-N-CA 125.45 1.5 . . . . 0.0 113.59 -178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.85 50.41 2.22 Favored Glycine 0 N--CA 1.476 1.305 0 C-N-CA 125.484 1.516 . . . . 0.0 113.413 176.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 9.1 m -141.93 133.03 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 C-N-CA 126.832 2.053 . . . . 0.0 109.591 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.5 ttmt -114.11 114.33 25.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.055 1.342 . . . . 0.0 110.278 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -145.19 158.83 43.72 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 117.448 2.388 . . . . 0.0 117.448 -160.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -145.07 126.76 15.21 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.433 1.893 . . . . 0.0 110.668 176.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 72.6 mt -96.64 129.86 46.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 126.015 1.726 . . . . 0.0 109.783 177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -102.06 112.59 25.31 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.476 1.51 . . . . 0.0 109.288 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.72 -47.29 33.47 Favored Pre-proline 0 CA--C 1.549 0.915 0 CA-C-O 117.014 -1.469 . . . . 0.0 114.011 -166.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.34 -34.76 1.0 Allowed 'Trans proline' 0 C--N 1.354 0.865 0 C-N-CA 122.306 2.004 . . . . 0.0 113.736 175.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -69.9 -31.51 69.34 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 120.44 1.473 . . . . 0.0 111.508 176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.25 56.2 mttm 69.17 26.4 5.5 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.45 2.3 . . . . 0.0 110.918 178.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -99.01 148.59 23.85 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 129.438 3.095 . . . . 0.0 110.758 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 24.6 t -139.54 131.13 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.915 1.686 . . . . 0.0 108.175 177.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 43.3 t -111.87 129.99 55.97 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.787 0.835 . . . . 0.0 110.758 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 60.6 mt -120.3 125.01 73.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.624 1.17 . . . . 0.0 110.864 -176.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -94.6 114.61 26.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.732 0.777 . . . . 0.0 109.293 159.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.2 t -156.04 151.59 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 125.154 1.381 . . . . 0.0 110.291 171.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.25 -2.34 58.55 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 167.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -65.3 155.89 33.79 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 120.956 -1.09 . . . . 0.0 112.478 175.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 8.9 m -75.93 145.07 40.69 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 121.293 -0.879 . . . . 0.0 112.021 -170.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 mmm -55.77 -35.7 66.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.775 1.23 . . . . 0.0 113.43 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -70.29 -29.52 66.29 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 6.5 m -72.46 -43.54 63.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.679 1.192 . . . . 0.0 110.05 173.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.15 -53.52 55.95 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.408 1.083 . . . . 0.0 110.618 174.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.29 -33.67 76.53 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 179.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.97 97.96 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.834 1.197 . . . . 0.0 112.049 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 55.6 m -69.27 -39.19 78.54 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.02 1.328 . . . . 0.0 111.363 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.86 -41.89 95.31 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.165 -0.96 . . . . 0.0 111.059 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 42.2 mtmt -63.41 -29.02 70.39 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.772 1.169 . . . . 0.0 113.34 172.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -65.08 -14.06 59.54 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.512 1.301 . . . . 0.0 114.512 170.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 42.1 p -66.19 -16.74 64.24 Favored 'General case' 0 N--CA 1.483 1.208 0 CA-C-N 120.294 1.406 . . . . 0.0 113.184 169.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.78 37.51 19.34 Favored Glycine 0 CA--C 1.528 0.857 0 CA-C-O 119.246 -0.752 . . . . 0.0 112.203 -177.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -137.31 149.3 46.96 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 126.705 2.002 . . . . 0.0 112.937 -175.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 77.3 m -67.67 109.8 3.46 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 162.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.5 p -106.33 142.46 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.216 1.406 . . . . 0.0 112.019 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 64.6 m -123.84 126.84 47.15 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.687 1.595 . . . . 0.0 110.871 174.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -87.69 126.75 35.15 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.326 1.05 . . . . 0.0 111.138 171.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -157.29 55.87 0.51 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.24 1.016 . . . . 0.0 113.424 -170.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 159.97 154.89 7.49 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 115.835 1.094 . . . . 0.0 115.835 166.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -148.28 131.3 16.27 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.47 1.908 . . . . 0.0 108.338 -170.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 . . . . . 0 C--O 1.252 1.201 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -166.018 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 119.015 -0.517 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.61 160.6 34.79 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.215 0.912 . . . . 0.0 111.314 -171.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.6 m -56.02 135.54 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.066 0 CA-C-N 117.964 0.882 . . . . 0.0 112.825 -164.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -120.29 124.78 46.44 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.111 1.364 . . . . 0.0 110.598 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -102.79 137.52 40.9 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.647 -0.658 . . . . 0.0 112.419 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 66.2 t -133.79 143.2 39.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.222 1.409 . . . . 0.0 110.619 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 m -106.78 142.15 36.88 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.122 1.769 . . . . 0.0 109.565 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.4 mt -132.03 126.33 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 C-N-CA 125.966 1.706 . . . . 0.0 109.794 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 p -76.26 69.04 2.74 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 120.824 -1.173 . . . . 0.0 111.268 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 38.3 t -74.35 75.61 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 124.877 1.271 . . . . 0.0 109.96 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.8 -15.22 62.64 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.203 1.801 . . . . 0.0 114.165 -165.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -96.79 -3.55 59.32 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 125.08 1.324 . . . . 0.0 115.58 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -107.56 137.89 44.78 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.956 1.702 . . . . 0.0 112.369 -167.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.7 t -160.12 -18.28 0.06 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.048 1.87 . . . . 0.0 116.048 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 m -94.68 168.71 10.66 Favored 'General case' 0 CA--C 1.554 1.126 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -160.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -56.5 -49.56 74.33 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.646 1.979 . . . . 0.0 114.366 -177.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.9 p -81.91 -23.7 36.08 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.522 -0.736 . . . . 0.0 111.968 176.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 68.8 m -70.88 -43.14 69.01 Favored 'General case' 0 CA--C 1.554 1.102 0 O-C-N 120.936 -1.103 . . . . 0.0 111.19 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -63.53 -28.73 45.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.164 0 CA-C-N 118.818 0.736 . . . . 0.0 112.614 170.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.8 t90 -68.87 -47.7 65.23 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.995 0.918 . . . . 0.0 111.243 173.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 97.2 m -47.82 -52.33 19.34 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.714 1.206 . . . . 0.0 111.302 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.9 mm -59.46 -46.76 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 118.686 0.675 . . . . 0.0 111.792 -176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -66.62 -36.62 83.01 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.34 0.656 . . . . 0.0 112.024 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -73.37 -29.81 62.88 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 174.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.74 -56.84 5.47 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 118.743 0.701 . . . . 0.0 111.309 171.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.63 -46.34 70.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 C-N-CA 123.524 0.73 . . . . 0.0 111.036 -167.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.52 0.96 2.52 Favored Glycine 0 CA--C 1.536 1.403 0 N-CA-C 116.524 1.37 . . . . 0.0 116.524 -173.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.54 -2.79 18.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.233 1.413 . . . . 0.0 113.785 170.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.2 t -86.71 104.28 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 169.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -30.5 -49.21 0.11 Allowed 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 127.518 2.327 . . . . 0.0 115.627 -175.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -80.61 -6.36 89.38 Favored Glycine 0 CA--C 1.531 1.042 0 CA-C-O 118.178 -1.346 . . . . 0.0 116.131 -171.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.8 m -77.12 140.55 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 120.577 2.189 . . . . 0.0 111.749 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -115.19 -29.9 6.48 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.579 1.325 . . . . 0.0 114.579 -177.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -157.14 129.95 7.63 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 121.312 1.869 . . . . 0.0 110.973 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.51 127.36 74.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 125.286 1.434 . . . . 0.0 111.586 177.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -129.1 134.08 47.92 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.089 1.756 . . . . 0.0 110.035 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -134.46 129.22 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 122.295 1.045 . . . . 0.0 111.451 178.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 40.5 m -110.77 102.95 11.45 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.996 1.718 . . . . 0.0 110.623 -170.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.38 -29.37 59.83 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 114.376 1.25 . . . . 0.0 114.376 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -85.07 -27.7 26.15 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.236 1.014 . . . . 0.0 111.338 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -105.74 6.85 32.17 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.728 1.611 . . . . 0.0 113.096 177.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt 52.87 44.32 30.48 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.86 2.064 . . . . 0.0 113.983 168.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -151.29 169.85 20.94 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.947 -1.096 . . . . 0.0 112.932 -173.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.23 131.02 41.72 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.814 1.645 . . . . 0.0 109.485 -176.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -121.04 141.15 51.02 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.683 1.193 . . . . 0.0 108.625 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.1 tt -150.36 138.48 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 O-C-N 121.377 -0.827 . . . . 0.0 111.933 -175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 37.2 mt -103.94 133.16 48.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 109.3 168.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -140.39 159.17 42.79 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.131 1.372 . . . . 0.0 113.182 174.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -74.6 116.52 54.16 Favored Pre-proline 0 CA--C 1.546 0.797 0 C-N-CA 125.941 1.697 . . . . 0.0 109.3 171.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.09 -15.76 43.61 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.64 2.227 . . . . 0.0 113.542 -171.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -66.55 -67.71 0.43 Allowed 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 119.575 1.08 . . . . 0.0 111.342 174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.9 mp -84.87 -6.39 59.34 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 126.082 1.753 . . . . 0.0 114.8 -167.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.29 157.96 43.08 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.205 1.002 . . . . 0.0 111.219 -166.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.8 p -137.9 159.17 69.68 Favored Pre-proline 0 N--CA 1.48 1.067 0 C-N-CA 124.988 1.315 . . . . 0.0 113.068 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.68 -26.16 23.56 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.541 2.827 . . . . 0.0 111.955 169.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -59.42 -47.65 84.64 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.552 -0.717 . . . . 0.0 111.233 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 43.7 m -50.5 -40.61 51.72 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.976 1.31 . . . . 0.0 112.497 174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.9 -48.74 52.04 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.407 1.083 . . . . 0.0 111.28 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -57.03 -47.92 79.75 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.545 0.738 . . . . 0.0 112.324 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.21 -29.66 69.97 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 112.577 179.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.04 -41.58 98.27 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.105 173.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 15.1 mm -69.13 -33.83 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 119.346 0.975 . . . . 0.0 111.09 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -70.71 -8.53 52.77 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.71 -27.91 64.34 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.246 -0.909 . . . . 0.0 112.267 170.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -96.01 -131.75 0.18 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.495 1.118 . . . . 0.0 111.639 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -146.22 58.58 0.5 Allowed Glycine 0 CA--C 1.526 0.757 0 C-N-CA 125.693 1.616 . . . . 0.0 111.58 177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -139.18 157.73 45.42 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.72 2.008 . . . . 0.0 110.646 -178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -110.38 141.96 42.73 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.678 1.191 . . . . 0.0 110.915 -173.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.16 140.83 16.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.212 1.005 . . . . 0.0 112.949 -168.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.0 t -144.17 143.49 23.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 126.508 1.923 . . . . 0.0 107.659 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -65.47 135.23 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 O-C-N 122.012 -0.43 . . . . 0.0 110.032 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -142.91 -154.77 0.54 Allowed 'General case' 0 CA--C 1.551 1.017 0 C-N-CA 124.646 1.178 . . . . 0.0 111.73 -170.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 C--O 1.252 1.219 0 CA-C-N 119.795 1.179 . . . . 0.0 114.131 -177.435 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 22.8 mmt . . . . . 0 N--CA 1.479 1.016 0 CA-C-O 115.731 -2.08 . . . . 0.0 113.568 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -75.55 178.58 7.19 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 123.736 2.957 . . . . 0.0 113.105 -176.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 38.3 mtpt -102.58 155.04 18.55 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.065 0.946 . . . . 0.0 112.763 170.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -150.73 158.47 44.19 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.036 1.334 . . . . 0.0 111.531 168.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -137.87 151.7 48.31 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.695 1.198 . . . . 0.0 113.638 -167.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -148.01 158.83 44.27 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 127.102 2.161 . . . . 0.0 110.03 -170.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -136.37 156.88 48.01 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.03 0.932 . . . . 0.0 113.492 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.1 m -142.32 169.06 13.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.691 2.397 . . . . 0.0 109.796 -175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -71.16 38.94 0.06 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 126.916 2.086 . . . . 0.0 113.665 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.6 ttm -74.53 67.75 1.53 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.051 2.14 . . . . 0.0 111.445 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 12.6 p -74.58 -10.09 59.21 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.622 1.169 . . . . 0.0 112.908 169.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.3 p -130.24 159.05 38.05 Favored 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.846 1.658 . . . . 0.0 114.0 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.27 -16.78 78.66 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 124.767 1.175 . . . . 0.0 113.401 171.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.59 -44.06 58.77 Favored Glycine 0 CA--C 1.528 0.852 0 CA-C-N 118.921 1.36 . . . . 0.0 111.609 174.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 52.9 t -57.07 -40.25 76.54 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.714 1.205 . . . . 0.0 111.741 171.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.23 -49.41 77.96 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.592 0.757 . . . . 0.0 112.545 174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -62.49 -40.13 95.68 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.752 -0.593 . . . . 0.0 112.357 176.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.66 -46.74 78.01 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.678 0.791 . . . . 0.0 112.136 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.2 p -67.35 -32.52 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 119.337 0.972 . . . . 0.0 111.47 178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -59.62 -40.67 88.34 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.741 1.155 . . . . 0.0 112.59 166.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -67.81 -29.72 68.96 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-O 118.274 -0.87 . . . . 0.0 113.215 172.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 67.3 t -70.44 -39.94 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 C-N-CA 124.737 1.215 . . . . 0.0 112.316 171.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.12 -38.34 88.57 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.145 171.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -63.44 -12.8 34.15 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 177.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -70.44 -37.42 74.37 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 120.786 -1.197 . . . . 0.0 111.129 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 93.9 mt -70.07 -57.6 4.78 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.128 0.971 . . . . 0.0 110.262 171.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 77.88 147.13 2.96 Favored Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.655 1.122 . . . . 0.0 112.838 -175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.75 72.65 0.9 Allowed Glycine 0 N--CA 1.469 0.892 0 C-N-CA 124.895 1.236 . . . . 0.0 111.796 178.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 3.5 m -149.05 129.03 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.353 1.061 . . . . 0.0 111.957 -172.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -93.86 113.16 25.13 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.843 1.257 . . . . 0.0 109.972 173.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -155.64 163.43 39.94 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -143.99 134.75 25.1 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.2 1.4 . . . . 0.0 110.835 177.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.64 142.9 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.337 1.455 . . . . 0.0 110.141 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -125.32 106.04 9.55 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.847 0.859 . . . . 0.0 110.852 171.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 54.9 tp -68.84 -39.64 14.61 Favored Pre-proline 0 CA--C 1.548 0.879 0 CA-C-O 116.403 -1.76 . . . . 0.0 114.167 -173.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.99 -49.06 12.17 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.117 2.545 . . . . 0.0 112.691 177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -78.84 -24.47 44.39 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.005 0.922 . . . . 0.0 113.198 -178.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.6 mttp 82.66 18.86 0.28 Allowed 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 130.165 3.386 . . . . 0.0 112.612 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -89.73 151.39 21.86 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.808 1.643 . . . . 0.0 112.916 -167.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 14.8 t -125.98 136.65 60.17 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.606 1.162 . . . . 0.0 108.056 159.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' B' ' 76' ' ' LYS . 42.3 t -129.01 131.15 47.36 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.371 1.069 . . . . 0.0 110.706 175.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 3.8 mp -126.28 142.53 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 125.907 1.683 . . . . 0.0 110.918 -166.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -125.45 69.04 1.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.247 2.219 . . . . 0.0 110.68 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.1 t -138.38 145.42 41.03 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.874 1.67 . . . . 0.0 112.429 -170.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -68.39 -3.8 12.45 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 -174.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.09 160.37 28.11 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 119.374 0.988 . . . . 0.0 113.107 177.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 66.6 m -74.26 155.51 38.18 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 120.573 -1.33 . . . . 0.0 113.6 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 52.0 mtp -52.59 -35.5 54.3 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.733 1.213 . . . . 0.0 111.682 164.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -52.28 -44.58 65.06 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.554 1.541 . . . . 0.0 113.288 174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 51.6 m -69.48 -44.21 71.63 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.829 1.652 . . . . 0.0 110.709 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.53 -53.92 51.7 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 118.653 -0.689 . . . . 0.0 111.076 173.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.34 -42.13 95.04 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.23 0.923 . . . . 0.0 112.379 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.03 92.69 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 118.98 0.809 . . . . 0.0 112.566 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 20.2 m -73.38 -48.37 34.54 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.186 1.794 . . . . 0.0 112.218 177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.07 -19.63 65.91 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.364 1.065 . . . . 0.0 113.171 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -61.04 -27.67 68.5 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.198 0.999 . . . . 0.0 113.275 167.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -70.09 -29.67 66.71 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 120.472 -1.393 . . . . 0.0 112.521 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -27.57 11.57 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 126.444 1.898 . . . . 0.0 113.802 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.1 31.92 53.99 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.876 0.751 . . . . 0.0 113.662 172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -122.66 151.5 41.44 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 127.15 2.18 . . . . 0.0 111.763 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 25.4 m -57.37 98.69 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.514 1.526 . . . . 0.0 109.429 166.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -106.95 140.59 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 126.233 1.813 . . . . 0.0 111.502 -172.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 3.7 m -147.67 150.18 33.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.068 0.947 . . . . 0.0 112.58 -176.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -83.17 150.42 26.25 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 125.144 1.378 . . . . 0.0 112.568 176.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 91.6 mt -124.13 157.47 34.56 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.399 1.48 . . . . 0.0 111.394 176.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -63.75 135.67 41.23 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.065 1.317 . . . . 0.0 115.768 -166.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 12.2 tp -71.33 168.42 17.41 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.644 1.978 . . . . 0.0 111.68 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.252 1.207 0 C-N-CA 124.018 0.927 . . . . 0.0 112.127 168.9 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtt . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 110.652 -0.129 . . . . 0.0 110.652 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.94 -61.33 0.04 OUTLIER Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.14 0.876 . . . . 0.0 113.087 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.1 m -149.43 141.76 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.658 1.183 . . . . 0.0 111.79 176.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -126.17 106.76 9.79 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.194 1.398 . . . . 0.0 110.966 175.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.5 p -76.56 138.79 40.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.788 1.635 . . . . 0.0 111.75 171.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.1 p -157.15 170.96 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 124.439 1.095 . . . . 0.0 112.018 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -123.82 151.09 43.76 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.249 1.419 . . . . 0.0 110.255 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.0 mt -133.11 123.18 47.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 109.392 172.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 m -77.75 53.82 1.17 Allowed 'General case' 0 CA--C 1.549 0.925 0 O-C-N 120.152 -1.593 . . . . 0.0 113.378 -175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.61 104.45 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 125.398 1.479 . . . . 0.0 112.612 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -73.83 -46.1 47.18 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.161 1.541 . . . . 0.0 115.161 -165.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.8 -0.73 83.47 Favored Glycine 0 N--CA 1.477 1.42 0 O-C-N 120.878 -1.139 . . . . 0.0 115.716 -167.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.0 ttp -86.9 134.32 33.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 127.405 2.282 . . . . 0.0 109.88 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 t -164.06 -19.4 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 117.166 2.284 . . . . 0.0 117.166 -159.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.8 p -142.19 -111.85 0.13 Allowed 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -163.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -87.87 -49.15 7.28 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.428 1.491 . . . . 0.0 112.843 -159.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -152.9 4.37 0.34 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 -170.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.4 p -48.69 -54.58 14.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 124.549 1.14 . . . . 0.0 110.99 153.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.5 m -45.6 -50.67 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.16 2.184 . . . . 0.0 113.077 170.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 55.7 t90 -65.96 -36.18 82.63 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.978 1.311 . . . . 0.0 112.404 177.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.5 m -62.88 -34.87 78.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.545 1.138 . . . . 0.0 111.427 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.2 mm -57.84 -44.63 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.289 0.95 . . . . 0.0 111.587 175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -65.67 -33.01 74.9 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.278 1.031 . . . . 0.0 112.151 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 33.3 mm-40 -68.02 -54.25 19.85 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.106 173.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -73.3 -41.53 63.46 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.652 0.982 . . . . 0.0 113.652 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.48 -43.74 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.582 -1.324 . . . . 0.0 111.286 176.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -58.22 -20.67 44.36 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 124.517 1.056 . . . . 0.0 114.449 175.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -61.31 -27.54 68.56 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-N 119.021 1.411 . . . . 0.0 113.241 172.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.3 t -81.6 -11.94 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.085 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -168.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 t30 70.01 -25.17 0.15 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.879 2.472 . . . . 0.0 114.735 -177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -83.06 -15.92 71.08 Favored Glycine 0 C--N 1.34 0.762 0 C-N-CA 124.846 1.212 . . . . 0.0 114.436 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -72.53 119.99 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 CA-C-N 119.671 1.735 . . . . 0.0 109.84 171.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -84.91 -33.21 22.77 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.703 1.601 . . . . 0.0 111.059 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -157.18 134.14 10.22 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.151 1.38 . . . . 0.0 111.797 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -120.84 130.14 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 C-N-CA 125.083 1.353 . . . . 0.0 111.596 173.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -128.07 147.48 50.53 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 127.468 2.307 . . . . 0.0 110.54 173.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 m -140.49 144.14 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 124.25 1.02 . . . . 0.0 111.997 177.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.3 m -128.27 115.12 17.82 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.267 1.427 . . . . 0.0 111.24 -173.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -85.1 -32.47 22.79 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 116.523 2.046 . . . . 0.0 116.523 -163.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -87.59 -28.33 21.99 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.342 -0.849 . . . . 0.0 110.266 177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -80.29 -18.94 47.87 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.189 0.996 . . . . 0.0 112.632 172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.8 mttt 55.33 56.58 6.23 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.205 1.802 . . . . 0.0 112.124 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.3 p30 -153.57 164.63 37.92 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 122.156 0.979 . . . . 0.0 113.032 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -129.67 125.13 35.32 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.748 2.019 . . . . 0.0 108.587 -170.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 42.4 m -110.7 135.65 50.97 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.882 1.673 . . . . 0.0 108.141 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 18.5 tt -155.8 142.31 10.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -166.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 42.4 mt -111.65 121.85 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.557 1.143 . . . . 0.0 108.626 166.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -113.44 147.8 37.12 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.316 1.046 . . . . 0.0 112.496 171.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -81.08 121.62 80.83 Favored Pre-proline 0 CA--C 1.542 0.65 0 C-N-CA 124.956 1.302 . . . . 0.0 108.726 168.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -66.75 -10.17 27.2 Favored 'Trans proline' 0 CA--C 1.534 0.477 0 C-N-CA 122.762 2.308 . . . . 0.0 113.554 -173.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.4 mtmm -87.9 -23.33 23.97 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.76 1.82 12.81 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.296 1.439 . . . . 0.0 113.268 -174.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -148.26 170.45 17.87 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.153 1.381 . . . . 0.0 111.603 -170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 37.7 p -152.09 157.82 33.96 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.243 1.817 . . . . 0.0 110.849 173.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -52.92 -37.79 78.32 Favored 'Trans proline' 0 C--N 1.35 0.613 0 C-N-CA 123.932 3.088 . . . . 0.0 112.839 167.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -55.93 -57.46 12.01 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.407 0.683 . . . . 0.0 111.319 170.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.7 m -64.51 -29.06 70.1 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.006 0.922 . . . . 0.0 112.559 -177.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mp -58.53 -56.19 25.3 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.93 1.292 . . . . 0.0 110.834 169.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.4 mt-30 -60.99 -35.71 77.53 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.857 1.263 . . . . 0.0 113.288 174.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -69.56 -31.79 70.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.311 1.044 . . . . 0.0 112.966 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.75 -29.71 67.13 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 6.3 mm -73.7 -46.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 CA-C-N 118.773 0.715 . . . . 0.0 111.531 169.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -70.95 -3.75 21.02 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.9 -38.99 90.43 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.038 1.335 . . . . 0.0 111.369 168.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.513 ' HG3' ' H ' ' A' ' 66' ' ' GLY 0.272 6.1 ptp -90.29 -110.82 0.08 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.638 0.775 . . . . 0.0 110.898 174.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.513 ' H ' ' HG3' ' A' ' 65' ' ' MET . . . -160.91 57.79 0.31 Allowed Glycine 0 N--CA 1.468 0.826 0 CA-C-N 120.061 1.301 . . . . 0.0 114.527 177.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -127.86 152.58 47.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.36 1.064 . . . . 0.0 110.891 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -85.35 141.18 30.21 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.023 1.329 . . . . 0.0 110.468 173.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.42 118.66 4.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.034 0.934 . . . . 0.0 112.068 -164.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.4 t -131.31 139.72 50.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 C-N-CA 128.045 2.538 . . . . 0.0 106.903 -175.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.1 mm -73.89 140.44 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 120.927 0.394 . . . . 0.0 110.925 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -154.08 -177.8 6.66 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.213 0.605 . . . . 0.0 112.403 175.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--O 1.255 1.385 0 C-N-CA 125.3 1.44 . . . . 0.0 110.621 173.528 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 89.4 mtp . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 115.357 -2.259 . . . . 0.0 112.793 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -56.22 138.71 84.23 Favored 'Trans proline' 0 C--N 1.361 1.187 0 CA-C-N 123.157 2.163 . . . . 0.0 112.186 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -121.99 133.96 54.81 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.506 0.722 . . . . 0.0 111.593 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.27 143.31 47.7 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.915 1.286 . . . . 0.0 111.378 -164.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -124.23 147.27 48.17 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.622 1.169 . . . . 0.0 112.329 -174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -137.01 131.05 32.34 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.757 1.623 . . . . 0.0 110.061 -176.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 32.0 t -84.01 152.97 24.11 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 121.604 -0.685 . . . . 0.0 110.198 165.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.64 146.23 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.414 0 C-N-CA 124.516 1.126 . . . . 0.0 110.335 -178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -66.48 -4.46 8.4 Favored 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.41 1.084 . . . . 0.0 112.798 171.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.53 135.22 57.6 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 128.043 2.537 . . . . 0.0 112.481 177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 14.3 t -149.44 -10.13 0.31 Allowed 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.769 1.628 . . . . 0.0 113.562 173.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 23.0 t -79.03 138.24 37.91 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.939 1.296 . . . . 0.0 112.278 176.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -65.44 -32.35 83.19 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.459 1.028 . . . . 0.0 112.561 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.73 -39.31 66.43 Favored Glycine 0 CA--C 1.527 0.796 0 CA-C-N 117.883 0.841 . . . . 0.0 111.654 170.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 93.6 m -62.81 -38.44 90.71 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.669 1.234 . . . . 0.0 112.308 171.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.93 -31.83 73.0 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.975 0.807 . . . . 0.0 113.161 174.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.38 -51.95 51.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 119.16 0.891 . . . . 0.0 110.563 164.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -55.89 -40.52 73.13 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.94 -30.55 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.591 1.157 . . . . 0.0 112.217 175.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -69.9 -47.69 61.54 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 120.823 -1.173 . . . . 0.0 111.287 171.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 mtp180 -65.63 -33.83 76.81 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.076 -0.964 . . . . 0.0 112.743 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.07 -37.94 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 CA-C-N 119.188 0.903 . . . . 0.0 112.498 175.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 52.6 mt -67.33 -36.75 82.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.332 0.969 . . . . 0.0 110.998 175.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -67.56 -2.97 7.47 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 173.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -66.19 -37.18 84.98 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 120.061 -1.649 . . . . 0.0 111.837 162.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.22 -51.77 12.52 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.491 1.116 . . . . 0.0 111.551 165.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.04 160.49 29.17 Favored Glycine 0 CA--C 1.534 1.267 0 C-N-CA 124.806 1.193 . . . . 0.0 114.744 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 66.3 26.49 72.62 Favored Glycine 0 N--CA 1.475 1.251 0 C-N-CA 125.653 1.597 . . . . 0.0 116.041 174.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.94 144.32 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 124.534 1.134 . . . . 0.0 112.311 -173.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -91.15 122.95 34.23 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.075 1.35 . . . . 0.0 110.009 168.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -157.86 158.93 36.04 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -140.19 127.36 21.05 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.566 1.547 . . . . 0.0 111.003 171.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 54.4 mt -90.87 132.81 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 125.715 1.606 . . . . 0.0 108.617 175.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -108.27 96.82 6.62 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.853 1.261 . . . . 0.0 109.857 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.47 -41.39 90.93 Favored Pre-proline 0 CA--C 1.547 0.844 0 CA-C-O 116.507 -1.711 . . . . 0.0 114.444 -178.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -78.89 -35.68 0.93 Allowed 'Trans proline' 0 C--N 1.353 0.782 0 CA-C-N 122.64 1.979 . . . . 0.0 113.389 -178.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -85.23 -9.74 57.4 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.089 1.313 . . . . 0.0 113.317 177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mmtt 63.99 41.34 6.58 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.039 1.736 . . . . 0.0 111.745 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 50.4 pttt -131.31 163.59 27.48 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.624 1.169 . . . . 0.0 113.079 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 21.6 t -128.31 133.93 65.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.634 1.574 . . . . 0.0 108.343 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 61.7 m -120.63 131.82 54.81 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.517 1.127 . . . . 0.0 109.635 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.9 144.63 32.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.986 1.314 . . . . 0.0 110.22 -165.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -122.84 99.04 6.18 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.133 1.373 . . . . 0.0 109.68 166.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 48.2 t -132.42 156.22 47.08 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.232 1.197 . . . . 0.0 114.232 -172.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -77.23 -7.79 56.5 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 167.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -82.29 157.1 23.97 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 -174.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 44.9 m -64.77 143.63 57.8 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.354 1.862 . . . . 0.0 114.093 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.9 ppp? -66.86 -36.61 82.72 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -176.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.59 -21.48 61.86 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 120.534 1.516 . . . . 0.0 112.164 176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 36.2 m -73.7 -46.94 43.14 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.943 1.297 . . . . 0.0 110.637 172.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.7 mt -58.19 -50.13 74.62 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.718 0.807 . . . . 0.0 110.955 171.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 49.4 tp -57.86 -52.35 65.84 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.902 1.681 . . . . 0.0 111.711 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -60.65 -29.99 69.62 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 79.5 m -71.9 -48.05 48.31 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.39 1.076 . . . . 0.0 110.896 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.28 -39.78 91.67 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.481 0.712 . . . . 0.0 111.996 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 36.7 mtpt -61.57 -17.26 54.23 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -64.68 -21.63 66.78 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.635 -1.29 . . . . 0.0 113.437 171.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 57.6 p -71.34 0.94 6.97 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.67 55.54 7.37 Favored Glycine 0 N--CA 1.469 0.878 0 CA-C-N 120.043 1.292 . . . . 0.0 111.68 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 39.6 mmtm -141.42 150.72 42.7 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.342 1.457 . . . . 0.0 111.851 -174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 27.1 m -69.69 114.57 8.02 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 151.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.99 139.19 32.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 125.466 1.506 . . . . 0.0 109.0 172.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 19.4 m -135.03 117.71 16.02 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.323 0.649 . . . . 0.0 112.271 -177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -73.55 116.28 13.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.992 0.917 . . . . 0.0 111.9 176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 87.2 mt -150.87 61.89 0.92 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.314 1.446 . . . . 0.0 111.809 -162.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 151.28 140.94 3.25 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.329 0.966 . . . . 0.0 115.043 163.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 54.6 tp -150.81 142.59 23.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.317 1.847 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 C--O 1.251 1.169 0 C-N-CA 125.398 1.479 . . . . 0.0 112.722 175.827 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 110.52 -0.178 . . . . 0.0 110.52 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.55 -154.39 18.82 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 125.245 1.403 . . . . 0.0 112.74 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -128.23 135.94 61.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 125.282 1.433 . . . . 0.0 111.415 174.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -101.68 156.33 17.56 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.823 1.249 . . . . 0.0 110.537 170.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 t -145.7 149.44 34.44 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.96 -1.088 . . . . 0.0 111.831 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.6 p -155.19 154.31 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 O-C-N 121.429 -0.794 . . . . 0.0 112.223 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 88.7 m -122.0 143.29 49.58 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.265 1.426 . . . . 0.0 110.573 173.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.9 mt -129.05 130.52 68.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 126.581 1.952 . . . . 0.0 108.951 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.0 m -73.4 53.67 0.41 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.176 1.39 . . . . 0.0 113.118 -176.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 50.6 t -64.97 100.7 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 124.844 1.258 . . . . 0.0 110.723 -177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -73.69 -60.68 2.14 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 115.63 1.715 . . . . 0.0 115.63 -163.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.86 18.37 2.44 Favored Glycine 0 N--CA 1.481 1.691 0 N-CA-C 116.598 1.399 . . . . 0.0 116.598 -168.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.5 ttp -80.27 42.8 0.6 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.433 1.893 . . . . 0.0 114.43 -168.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -78.63 16.4 0.85 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 125.816 1.647 . . . . 0.0 114.468 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.0 t -83.08 -166.64 1.4 Allowed 'General case' 0 CA--C 1.555 1.165 0 CA-C-O 123.28 1.514 . . . . 0.0 114.277 -171.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -147.74 -4.01 0.51 Allowed 'General case' 0 CA--C 1.552 1.027 0 C-N-CA 128.42 2.688 . . . . 0.0 111.464 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.9 p -133.05 -22.45 2.04 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 173.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.9 m -64.87 -29.93 70.9 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 119.21 -2.181 . . . . 0.0 112.105 168.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.95 -35.89 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.932 1.293 . . . . 0.0 112.09 168.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -72.02 -37.84 69.7 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.193 0.997 . . . . 0.0 111.853 171.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 90.8 m -53.97 -49.13 69.46 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 119.886 1.221 . . . . 0.0 111.455 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 mm -52.58 -51.42 34.67 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-N 119.569 1.077 . . . . 0.0 110.849 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -64.12 -36.57 84.46 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.94 1.296 . . . . 0.0 112.936 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -75.2 -34.03 61.47 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.442 1.497 . . . . 0.0 114.253 174.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -69.59 -53.35 19.26 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 119.183 0.901 . . . . 0.0 110.447 174.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.426 HG23 HG21 ' A' ' 32' ' ' VAL 0.279 1.0 OUTLIER -71.88 -39.68 67.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 C-N-CA 123.321 0.648 . . . . 0.0 111.567 -170.874 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.47 -37.72 56.48 Favored Glycine 0 CA--C 1.532 1.127 0 O-C-N 121.162 -0.961 . . . . 0.0 113.711 172.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.6 tppt? -75.09 -11.33 60.07 Favored 'General case' 0 CA--C 1.553 1.092 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.7 t -54.19 -58.8 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 CA-C-N 120.753 1.615 . . . . 0.0 113.839 -173.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 p30 145.0 -41.82 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.001 1 C-N-CA 131.982 4.113 . . . . 0.0 111.256 177.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.93 3.48 27.25 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 117.457 -1.746 . . . . 0.0 117.431 -170.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG21 HG23 ' A' ' 26' ' ' ILE . 2.9 m -74.37 143.32 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 121.902 2.851 . . . . 0.0 111.748 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -125.27 -20.55 4.81 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 -173.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -158.17 130.76 7.17 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.378 -1.451 . . . . 0.0 110.333 163.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.29 131.9 66.21 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 C-N-CA 125.076 1.35 . . . . 0.0 111.394 177.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -132.39 140.37 48.45 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.929 1.692 . . . . 0.0 110.891 175.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.5 m -138.62 119.86 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.466 1.106 . . . . 0.0 110.507 178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 66.5 m -97.79 101.44 12.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.181 1.392 . . . . 0.0 110.562 -175.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 pp -73.24 -16.44 61.4 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -175.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.07 -27.38 11.16 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.453 1.501 . . . . 0.0 112.27 -179.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -102.74 7.19 39.7 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 54.56 47.72 22.05 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.904 1.282 . . . . 0.0 113.828 167.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -151.06 150.27 30.53 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.986 0.914 . . . . 0.0 112.452 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.3 122.76 43.71 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 126.725 2.01 . . . . 0.0 108.235 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.8 m -120.22 142.24 49.2 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 125.074 1.35 . . . . 0.0 109.147 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 tt -153.63 137.39 8.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 O-C-N 121.631 -0.668 . . . . 0.0 112.199 -171.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.6 mt -103.57 136.35 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 125.801 1.641 . . . . 0.0 108.743 168.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -146.55 159.69 43.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.391 1.476 . . . . 0.0 113.96 -173.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -65.56 123.26 84.04 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.133 1.773 . . . . 0.0 112.231 176.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.55 -34.79 96.05 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.58 2.853 . . . . 0.0 113.699 175.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.7 mtmt -72.86 -59.4 2.73 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -174.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.05 -19.64 24.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -170.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.24 152.75 32.14 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 118.83 0.741 . . . . 0.0 112.641 -160.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.9 p -134.7 157.86 76.31 Favored Pre-proline 0 N--CA 1.476 0.831 0 C-N-CA 126.262 1.825 . . . . 0.0 112.962 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.58 -31.52 40.93 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.967 3.112 . . . . 0.0 113.193 164.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -51.33 -55.0 20.78 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.404 1.081 . . . . 0.0 111.539 176.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 51.2 m -53.28 -38.63 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.198 1.399 . . . . 0.0 112.291 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.18 -34.18 70.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.4 1.08 . . . . 0.0 112.55 -177.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -71.02 -51.48 25.11 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.695 1.134 . . . . 0.0 111.734 170.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -65.83 -20.38 66.22 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -174.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.26 82.45 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.136 0.974 . . . . 0.0 112.985 169.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.7 mm -69.53 -32.0 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.929 -1.107 . . . . 0.0 110.746 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -67.01 -10.8 53.64 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.428 1.891 . . . . 0.0 114.161 -173.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.13 -31.37 71.78 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.825 1.25 . . . . 0.0 112.564 167.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.8 mpp? -92.78 -161.71 0.86 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 125.175 1.39 . . . . 0.0 110.51 173.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -122.73 72.27 0.4 Allowed Glycine 0 N--CA 1.468 0.829 0 C-N-CA 125.291 1.424 . . . . 0.0 112.042 176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -133.04 -179.18 5.33 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.46 1.504 . . . . 0.0 110.36 174.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -117.9 133.52 55.85 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.834 1.254 . . . . 0.0 111.206 174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.03 100.75 3.53 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 124.122 0.969 . . . . 0.0 113.59 -168.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 96.3 t -118.97 137.08 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 127.274 2.23 . . . . 0.0 107.576 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.8 mt -77.04 131.02 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 CA-C-O 120.823 0.344 . . . . 0.0 110.833 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -147.23 -141.52 0.12 Allowed 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.803 1.241 . . . . 0.0 110.983 -168.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.254 1.327 0 CA-C-N 120.907 1.685 . . . . 0.0 114.25 -168.295 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 119.08 -0.486 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -74.88 160.93 39.89 Favored 'Trans proline' 0 CA--C 1.535 0.55 0 C-N-CA 123.215 2.61 . . . . 0.0 111.228 172.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.62 136.87 38.08 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.848 1.259 . . . . 0.0 110.296 168.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -132.85 168.18 18.85 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.251 1.82 . . . . 0.0 111.56 177.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -134.75 147.52 50.05 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.601 1.16 . . . . 0.0 111.341 172.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -142.22 154.0 44.43 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.881 2.072 . . . . 0.0 110.092 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 11.0 m -138.3 144.78 40.59 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.151 0.981 . . . . 0.0 113.015 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -136.15 170.03 19.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 126.441 1.896 . . . . 0.0 111.458 -171.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.82 44.43 0.13 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.586 1.554 . . . . 0.0 112.448 167.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 41.5 ttp -76.09 52.44 0.73 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 127.346 2.258 . . . . 0.0 110.596 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 60.1 m -81.54 -12.51 58.78 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.368 2.267 . . . . 0.0 112.905 -165.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 31.8 p -120.15 -119.6 0.3 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.162 1.385 . . . . 0.0 113.421 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.97 -37.11 0.1 OUTLIER Glycine 0 CA--C 1.533 1.159 0 N-CA-C 116.797 1.479 . . . . 0.0 116.797 -169.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.75 -40.84 51.93 Favored Glycine 0 N--CA 1.476 1.343 0 CA-C-N 119.76 1.78 . . . . 0.0 112.285 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 1.9 p -38.05 -48.78 1.24 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.476 1.911 . . . . 0.0 113.81 170.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.77 -31.83 73.23 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.526 1.13 . . . . 0.0 113.986 -178.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.28 -26.98 47.28 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.873 1.435 . . . . 0.0 114.873 168.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.98 -46.93 31.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.88 0.872 . . . . 0.0 113.269 174.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.6 -32.6 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.459 0.704 . . . . 0.0 112.871 -169.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 11.4 p -60.32 -57.99 10.42 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.582 1.153 . . . . 0.0 111.208 170.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -59.4 -32.96 70.65 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.35 1.06 . . . . 0.0 113.546 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -70.32 -41.71 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 121.134 -0.979 . . . . 0.0 111.751 174.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 20.2 tp -70.8 -39.76 72.92 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.726 1.21 . . . . 0.0 112.756 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -49.29 -23.05 1.23 Allowed 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.712 1.605 . . . . 0.0 114.799 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -72.7 -14.56 61.59 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.752 1.221 . . . . 0.0 114.176 178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 54.2 mt -73.74 -20.39 60.52 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.863 1.211 . . . . 0.0 113.932 166.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.76 -136.76 11.95 Favored Glycine 0 N--CA 1.47 0.911 0 C-N-CA 124.617 1.103 . . . . 0.0 113.345 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.69 34.45 1.85 Allowed Glycine 0 N--CA 1.476 1.324 0 C-N-CA 125.123 1.344 . . . . 0.0 115.983 -167.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.87 136.36 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 125.241 1.416 . . . . 0.0 111.591 -171.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -97.1 126.48 42.3 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.436 1.095 . . . . 0.0 110.236 170.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -157.79 158.9 36.11 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -175.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -145.67 134.42 22.31 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.419 1.488 . . . . 0.0 113.361 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 90.5 mt -108.0 139.99 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 C-N-CA 125.181 1.393 . . . . 0.0 112.553 -165.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -126.42 123.14 37.22 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 127.586 2.354 . . . . 0.0 109.986 173.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.62 -47.48 3.09 Favored Pre-proline 0 CA--C 1.546 0.811 0 CA-C-O 117.146 -1.406 . . . . 0.0 114.206 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -76.43 -36.3 1.81 Allowed 'Trans proline' 0 C--N 1.351 0.7 0 CA-C-N 121.97 1.739 . . . . 0.0 112.946 -165.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -90.06 -5.6 56.41 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.092 1.315 . . . . 0.0 112.548 169.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.2 mttt 72.54 36.23 1.02 Allowed 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.595 1.958 . . . . 0.0 112.169 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -114.61 144.42 43.43 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.233 1.813 . . . . 0.0 112.027 -161.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 41.4 t -128.14 124.27 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 124.838 1.255 . . . . 0.0 108.872 177.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -86.39 135.86 33.34 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.355 1.462 . . . . 0.0 108.78 171.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 45.0 mt -134.28 138.29 50.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 CA-C-N 119.242 0.928 . . . . 0.0 110.35 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -119.23 101.74 8.2 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.107 1.363 . . . . 0.0 108.96 171.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 29.7 t -159.89 155.01 24.9 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -81.77 -16.56 50.64 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.603 1.561 . . . . 0.0 114.673 171.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.84 150.72 42.45 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 121.549 -0.719 . . . . 0.0 111.374 -177.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 46.9 t -65.91 147.19 53.76 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -162.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 40.2 mtp -51.71 -41.75 61.72 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.683 1.193 . . . . 0.0 111.999 166.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -71.2 -28.0 63.91 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 121.571 -0.706 . . . . 0.0 112.632 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 52.8 m -70.95 -44.52 65.91 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.81 1.244 . . . . 0.0 109.576 172.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.99 -50.9 71.52 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 123.962 0.905 . . . . 0.0 112.158 176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 84.2 mt -56.52 -46.89 80.36 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.788 0.722 . . . . 0.0 111.262 176.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -68.38 -23.87 64.72 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 39.1 m -74.0 -52.94 11.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.672 1.189 . . . . 0.0 110.648 170.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 91.7 mt -70.76 -37.32 73.39 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.804 1.241 . . . . 0.0 112.568 -171.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -54.61 -29.74 52.76 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 119.928 1.24 . . . . 0.0 113.22 177.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -62.08 -19.83 63.36 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.052 1.741 . . . . 0.0 113.942 178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.4 p -62.55 -8.75 6.9 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.209 1.403 . . . . 0.0 114.086 171.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 80.98 11.98 83.15 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 125.211 1.386 . . . . 0.0 112.511 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -112.97 143.19 44.69 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.049 1.34 . . . . 0.0 112.361 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.4 m -66.48 103.9 1.14 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.897 1.679 . . . . 0.0 108.129 170.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 8.0 p -97.45 136.19 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.476 1.51 . . . . 0.0 111.879 179.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 12.2 m -133.56 145.64 50.28 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.797 1.239 . . . . 0.0 112.088 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -95.63 141.09 29.54 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.511 1.524 . . . . 0.0 112.94 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 83.4 mt -132.86 53.61 2.01 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 124.994 1.318 . . . . 0.0 112.591 -177.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 81.71 175.11 50.07 Favored Glycine 0 CA--C 1.538 1.497 0 N-CA-C 117.172 1.629 . . . . 0.0 117.172 162.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.4 tt -117.21 132.66 56.59 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 127.418 2.287 . . . . 0.0 109.832 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 . . . . . 0 C--O 1.255 1.343 0 N-CA-C 116.45 2.018 . . . . 0.0 116.45 -171.396 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.927 0 CA-C-O 120.454 0.169 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.06 -151.14 11.78 Favored Glycine 0 CA--C 1.525 0.705 0 O-C-N 121.747 -0.595 . . . . 0.0 112.91 -174.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.8 m -64.37 131.64 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.583 0.691 . . . . 0.0 112.764 178.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -123.88 124.48 42.74 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.972 1.309 . . . . 0.0 110.543 175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.8 m -98.85 135.93 39.59 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.475 1.11 . . . . 0.0 111.898 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.4 p -148.94 151.08 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.985 0 C-N-CA 123.505 0.722 . . . . 0.0 111.534 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.4 m -129.08 135.7 49.26 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.076 1.35 . . . . 0.0 111.121 -177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 mt -129.28 123.55 58.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 126.012 1.725 . . . . 0.0 109.378 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.5 m -66.99 101.01 0.79 Allowed 'General case' 0 CA--C 1.54 0.567 0 O-C-N 120.661 -1.274 . . . . 0.0 107.953 162.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.8 t -91.84 78.83 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 174.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -58.87 -8.77 1.48 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.928 1.691 . . . . 0.0 113.987 -175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.6 2.16 57.21 Favored Glycine 0 CA--C 1.538 1.519 0 C-N-CA 125.022 1.296 . . . . 0.0 116.107 169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.6 ttp -90.55 118.09 29.74 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.612 1.706 . . . . 0.0 111.86 -177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -159.2 -21.61 0.07 Allowed 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.877 1.271 . . . . 0.0 113.689 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.6 t -85.88 140.25 30.55 Favored 'General case' 0 CA--C 1.559 1.296 0 C-N-CA 124.855 1.262 . . . . 0.0 113.661 178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -62.05 -42.52 99.27 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.74 1.616 . . . . 0.0 114.238 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.7 p -78.72 -29.59 45.43 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.233 0.924 . . . . 0.0 111.353 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 m -70.18 -38.1 75.29 Favored 'General case' 0 CA--C 1.557 1.234 0 O-C-N 120.986 -1.071 . . . . 0.0 110.868 177.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.8 t -55.62 -50.74 64.97 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 125.312 1.445 . . . . 0.0 110.723 165.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -60.05 -31.62 70.15 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.295 1.038 . . . . 0.0 113.352 173.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 91.7 m -64.03 -39.24 93.66 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.29 1.036 . . . . 0.0 110.654 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.5 mm -52.07 -51.02 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 CA-C-N 118.977 0.808 . . . . 0.0 110.94 174.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.4 -39.45 73.01 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.15 0.98 . . . . 0.0 112.027 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.73 -45.82 56.75 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 4.0 tp60 -68.29 -39.55 82.05 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.332 1.053 . . . . 0.0 111.608 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -71.41 -49.51 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 110.982 176.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -48.99 -32.86 12.35 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 124.232 0.92 . . . . 0.0 114.535 176.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -63.44 -30.43 71.56 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.834 1.254 . . . . 0.0 113.769 174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.0 t -71.17 -24.07 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.246 1.019 . . . . 0.0 111.385 -177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 71.37 -27.2 0.17 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 127.808 2.443 . . . . 0.0 114.551 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -37.72 95.23 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.11 0.862 . . . . 0.0 112.194 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.9 p -36.82 122.01 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.524 1.53 . . . . 0.0 114.459 169.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -92.21 -39.75 11.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.059 1.743 . . . . 0.0 110.841 169.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -156.59 134.25 10.9 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.085 1.354 . . . . 0.0 110.15 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.85 132.3 64.48 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.411 1.484 . . . . 0.0 110.283 174.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -132.42 142.96 49.49 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.415 1.086 . . . . 0.0 111.899 172.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 m -139.95 131.64 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.379 1.072 . . . . 0.0 110.557 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 31.0 m -112.5 93.47 4.45 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.293 1.037 . . . . 0.0 110.633 -170.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.79 -35.93 75.68 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.869 1.433 . . . . 0.0 114.869 -162.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -15.16 35.56 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.544 0.738 . . . . 0.0 112.515 -178.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -97.52 -20.67 17.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.077 1.351 . . . . 0.0 112.698 176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt 70.33 2.33 3.97 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 128.09 2.556 . . . . 0.0 113.314 178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -86.68 152.61 22.41 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 119.706 -1.871 . . . . 0.0 112.053 173.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -125.85 125.21 42.49 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 128.598 2.759 . . . . 0.0 108.251 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.4 m -117.8 143.39 46.31 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.863 1.265 . . . . 0.0 108.73 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.6 tt -150.22 146.38 16.68 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 O-C-N 121.5 -0.75 . . . . 0.0 111.607 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mt -103.35 124.92 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.647 158.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -125.63 150.12 47.84 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 125.569 1.548 . . . . 0.0 113.104 -176.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.63 127.53 69.99 Favored Pre-proline 0 CA--C 1.546 0.822 0 C-N-CA 125.074 1.35 . . . . 0.0 110.583 168.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -75.24 -16.79 19.49 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.26 2.64 . . . . 0.0 114.086 -168.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -70.73 -49.48 46.46 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 119.799 1.181 . . . . 0.0 110.715 175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.4 mp -84.91 -15.67 43.71 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.628 1.344 . . . . 0.0 114.628 -172.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -154.7 148.59 25.62 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.84 1.2 . . . . 0.0 112.276 -160.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 165.9 32.25 Favored Pre-proline 0 N--CA 1.479 1.021 0 C-N-CA 125.464 1.506 . . . . 0.0 110.829 174.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.72 -35.13 92.76 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.304 2.67 . . . . 0.0 112.469 165.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.4 tttm -62.41 -38.52 89.99 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 121.42 -0.8 . . . . 0.0 112.076 173.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.4 m -56.24 -40.62 74.43 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 119.626 1.103 . . . . 0.0 111.277 170.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 mt -62.62 -47.0 85.66 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.615 0.643 . . . . 0.0 111.76 175.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -62.51 -39.14 92.55 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 123.683 0.793 . . . . 0.0 111.827 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -71.9 -28.99 63.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.798 1.239 . . . . 0.0 113.284 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.91 -23.27 67.18 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 169.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 7.5 mm -73.59 -37.25 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 121.255 -0.903 . . . . 0.0 111.457 167.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -71.09 -20.61 62.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.534 1.534 . . . . 0.0 113.501 178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.37 -18.06 56.91 Favored 'General case' 0 CA--C 1.553 1.067 0 O-C-N 120.929 -1.107 . . . . 0.0 112.531 165.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 72.9 mtm -116.36 -144.5 0.38 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.384 1.874 . . . . 0.0 111.718 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -133.85 57.27 0.71 Allowed Glycine 0 N--CA 1.479 1.526 0 O-C-N 120.398 -1.439 . . . . 0.0 113.685 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -137.8 168.38 19.8 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.006 1.323 . . . . 0.0 111.608 -168.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -123.06 150.37 43.21 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.686 1.594 . . . . 0.0 109.734 -169.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.64 155.91 34.07 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -171.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 40.3 t -148.64 129.86 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 C-N-CA 125.761 1.625 . . . . 0.0 109.517 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.2 mt -68.79 136.81 25.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 O-C-N 121.496 -0.753 . . . . 0.0 110.472 177.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -141.06 -145.27 0.17 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 124.512 1.125 . . . . 0.0 111.781 -173.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.917 1.287 . . . . 0.0 113.225 -171.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.305 0.7 OUTLIER . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 115.532 -2.175 . . . . 0.0 112.376 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -71.09 133.84 23.97 Favored 'Trans proline' 0 C--N 1.354 0.85 0 CA-C-N 122.836 2.049 . . . . 0.0 111.61 -171.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -105.74 151.42 24.46 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.28 1.032 . . . . 0.0 111.813 174.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -152.66 155.68 37.75 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.168 0.987 . . . . 0.0 111.17 -174.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -132.06 146.41 52.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.802 0.841 . . . . 0.0 112.244 -171.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 69.6 m-85 -145.99 161.74 39.42 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 126.522 1.929 . . . . 0.0 110.258 -174.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.1 t -149.89 155.87 40.77 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 18.0 m -142.39 169.97 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 128.005 2.522 . . . . 0.0 106.938 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -77.59 70.99 4.05 Favored 'General case' 0 CA--C 1.549 0.904 0 O-C-N 121.795 -0.566 . . . . 0.0 111.293 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 19.5 mmt -64.46 33.74 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 126.497 1.919 . . . . 0.0 113.944 169.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 36.2 m -79.5 -36.5 38.51 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.53 1.532 . . . . 0.0 108.581 166.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -74.47 145.15 43.83 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 125.295 1.438 . . . . 0.0 111.637 160.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.11 -26.26 22.09 Favored Glycine 0 N--CA 1.471 0.984 0 C-N-CA 124.884 1.23 . . . . 0.0 114.218 -171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.15 -21.4 77.08 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-N 118.24 1.02 . . . . 0.0 113.161 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . 0.446 ' SG ' ' HE3' ' B' ' 133' ' ' LYS . 83.6 m -50.61 -45.56 57.59 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.454 1.501 . . . . 0.0 112.664 173.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.6 -47.98 82.5 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.17 0.988 . . . . 0.0 112.103 177.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -64.19 -31.43 72.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.484 1.114 . . . . 0.0 112.524 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.86 -53.26 15.83 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.082 0.953 . . . . 0.0 112.413 172.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 35.4 m -64.4 -35.57 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.912 0.778 . . . . 0.0 112.876 -172.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 85.7 p -67.3 -41.36 85.49 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 119.589 1.086 . . . . 0.0 112.04 177.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 78.5 mtt85 -72.46 -42.46 64.95 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.342 1.057 . . . . 0.0 113.82 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.6 p -69.9 -26.88 31.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 119.741 1.155 . . . . 0.0 112.715 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.06 -27.72 68.3 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.414 -0.804 . . . . 0.0 112.922 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -62.91 -19.95 64.7 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 118.752 0.705 . . . . 0.0 112.73 175.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -62.1 -35.88 80.04 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 120.598 -1.313 . . . . 0.0 112.651 172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 96.8 mt -75.23 -55.21 5.94 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.74 0.816 . . . . 0.0 111.06 164.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 82.39 154.65 14.98 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.607 1.098 . . . . 0.0 112.758 -174.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 61.52 76.69 0.23 Allowed Glycine 0 N--CA 1.467 0.746 0 C-N-CA 124.685 1.136 . . . . 0.0 112.2 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 2.6 m -149.49 132.91 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 124.21 1.004 . . . . 0.0 111.765 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -86.55 124.69 33.13 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.768 1.227 . . . . 0.0 109.102 167.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -157.98 155.56 29.65 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 115.536 1.68 . . . . 0.0 115.536 -179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -147.96 150.65 34.43 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.411 1.884 . . . . 0.0 111.621 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 41.8 mt -122.46 139.99 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.111 1.764 . . . . 0.0 110.922 -170.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -120.45 132.26 55.14 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.058 1.343 . . . . 0.0 111.836 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -84.83 -50.91 0.56 Allowed Pre-proline 0 CA--C 1.544 0.72 0 CA-C-O 116.868 -1.539 . . . . 0.0 113.292 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -71.56 -27.81 18.29 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.848 1.699 . . . . 0.0 113.158 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -90.94 -18.55 24.52 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.977 1.262 . . . . 0.0 113.369 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 39.0 mttm 76.94 9.69 2.74 Favored 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.837 2.855 . . . . 0.0 114.873 175.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . 0.408 ' HE2' ' SG ' ' B' ' 114' ' ' CYS . 11.7 ptmt -85.78 167.82 14.87 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.708 1.203 . . . . 0.0 113.969 -168.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 32.3 t -128.56 128.67 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.467 1.507 . . . . 0.0 108.284 160.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . 0.408 ' SG ' ' HE2' ' B' ' 112' ' ' LYS . 91.4 m -108.09 125.32 51.45 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.148 1.779 . . . . 0.0 110.161 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 64.4 mt -127.19 146.83 32.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 124.696 1.198 . . . . 0.0 110.981 -172.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -127.52 108.12 10.52 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.198 1.799 . . . . 0.0 109.463 165.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 51.0 p -139.9 167.97 20.88 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 115.149 1.537 . . . . 0.0 115.149 -171.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -85.88 9.31 17.14 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.731 0.812 . . . . 0.0 113.083 167.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -89.21 162.44 15.9 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.331 -1.48 . . . . 0.0 113.321 -174.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -72.01 142.87 49.32 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.622 1.169 . . . . 0.0 109.758 157.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 56.6 mtm -67.78 -26.32 66.04 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.052 -1.03 . . . . 0.0 112.639 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -57.78 -40.26 79.42 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.863 1.265 . . . . 0.0 112.777 166.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 13.7 m -69.75 -42.16 74.26 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.382 1.073 . . . . 0.0 110.814 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 97.6 mt -61.32 -51.19 69.91 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.701 0.8 . . . . 0.0 110.991 173.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 38.6 tp -59.44 -45.64 90.99 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.196 0.999 . . . . 0.0 111.557 178.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -62.1 -36.35 81.46 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 92.3 m -70.22 -42.36 72.4 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.504 1.122 . . . . 0.0 110.86 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.25 -43.56 97.67 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.64 0.655 . . . . 0.0 111.46 173.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -60.97 -22.88 64.88 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -47.04 -40.91 15.81 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.892 1.224 . . . . 0.0 112.326 171.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 52.0 p -62.2 -2.27 0.93 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.22 2.208 . . . . 0.0 115.767 -176.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 67.15 8.49 50.29 Favored Glycine 0 CA--C 1.533 1.172 0 C-N-CA 125.906 1.717 . . . . 0.0 114.811 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . 0.446 ' HE3' ' SG ' ' B' ' 88' ' ' CYS . 72.5 mmtt -78.95 167.73 20.71 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.569 1.548 . . . . 0.0 112.034 173.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 84.8 m -93.47 90.85 6.87 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.3 1.44 . . . . 0.0 107.925 175.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.0 t -91.94 147.36 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 126.473 1.909 . . . . 0.0 110.954 -169.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 28.7 p -134.23 142.93 47.53 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.063 0.945 . . . . 0.0 112.177 170.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -94.77 126.62 40.21 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 125.213 1.405 . . . . 0.0 110.235 172.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 88.5 mt -121.8 53.47 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.627 1.171 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.96 165.79 41.6 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 116.905 1.522 . . . . 0.0 116.905 161.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.6 tp -82.78 126.95 32.99 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 125.332 1.453 . . . . 0.0 108.186 164.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.256 1.396 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -168.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 pmm? . . . . . 0 N--CA 1.476 0.875 0 CA-C-O 120.709 0.29 . . . . 0.0 111.354 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 167.54 -33.7 0.2 Allowed Glycine 0 N--CA 1.469 0.888 0 C-N-CA 124.368 0.985 . . . . 0.0 113.699 179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.9 m -139.01 134.97 42.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.411 1.084 . . . . 0.0 112.574 172.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -134.2 133.48 40.97 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 126.348 1.859 . . . . 0.0 109.774 167.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.8 m -103.14 129.09 49.9 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -173.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.2 p -137.32 146.56 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 123.956 0.902 . . . . 0.0 111.642 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 42.1 m -114.23 137.91 51.16 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 125.063 1.345 . . . . 0.0 109.202 176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.37 111.71 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 125.629 1.571 . . . . 0.0 108.75 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.4 m -64.57 91.48 0.08 Allowed 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.023 -1.048 . . . . 0.0 108.233 166.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.2 m -76.86 65.89 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 C-N-CA 126.398 1.879 . . . . 0.0 110.819 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -45.3 -33.64 2.53 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 127.316 2.246 . . . . 0.0 115.719 -174.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.81 -2.41 61.26 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 124.996 1.284 . . . . 0.0 115.506 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.2 ttp -94.98 141.59 28.48 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 126.493 1.917 . . . . 0.0 110.557 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.3 t -158.44 -0.97 0.09 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 -174.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 50.5 t -136.47 175.53 9.52 Favored 'General case' 0 CA--C 1.571 1.754 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -161.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -78.46 -47.42 17.5 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.071 2.148 . . . . 0.0 115.327 -156.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.94 -17.44 43.57 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 120.941 -1.1 . . . . 0.0 111.284 176.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.0 m -63.74 -47.64 80.21 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.985 1.714 . . . . 0.0 110.26 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.7 m -61.28 -40.25 85.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 173.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.6 t90 -60.03 -37.9 81.15 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.719 -0.613 . . . . 0.0 111.54 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 28.8 m -64.39 -43.61 93.91 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.754 1.222 . . . . 0.0 110.972 176.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 33.4 mm -56.93 -44.5 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.581 1.082 . . . . 0.0 111.021 172.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -64.67 -37.69 88.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.127 0.971 . . . . 0.0 112.284 -177.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -71.4 -40.15 70.69 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 118.88 0.763 . . . . 0.0 112.671 170.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -68.63 -47.3 66.97 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.771 0.828 . . . . 0.0 112.64 -176.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.3 mm -70.08 -43.08 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 119.152 -0.452 . . . . 0.0 109.925 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.16 -12.5 30.99 Favored Glycine 0 CA--C 1.534 1.252 0 C-N-CA 124.214 0.912 . . . . 0.0 115.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -80.21 -23.77 40.71 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 118.86 1.33 . . . . 0.0 112.74 170.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -82.49 99.42 5.41 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 CA-C-N 119.442 1.019 . . . . 0.0 109.56 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -25.58 -47.22 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 128.812 2.845 . . . . 0.0 116.6 -178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -75.64 -11.39 84.49 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-O 118.235 -1.314 . . . . 0.0 116.251 -173.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -56.52 150.26 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.275 0 CA-C-N 120.348 2.074 . . . . 0.0 113.863 -178.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -115.04 -43.49 3.09 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.059 1.344 . . . . 0.0 111.756 171.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -157.32 142.12 16.76 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 119.703 1.138 . . . . 0.0 112.493 173.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -118.24 133.79 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.187 1.395 . . . . 0.0 111.979 170.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -130.9 146.55 52.36 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.13 1.372 . . . . 0.0 111.028 167.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -141.22 135.85 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.512 1.125 . . . . 0.0 112.614 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -113.58 109.19 18.22 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.899 1.679 . . . . 0.0 110.31 174.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -77.29 -30.25 54.11 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -29.35 19.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.632 1.173 . . . . 0.0 112.093 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -86.59 -14.01 44.06 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 169.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.5 47.77 2.87 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 126.612 1.965 . . . . 0.0 112.599 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.8 p30 -144.56 144.1 31.14 Favored 'General case' 0 CA--C 1.541 0.605 0 O-C-N 120.913 -1.117 . . . . 0.0 113.744 176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -119.51 130.21 55.08 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.388 2.275 . . . . 0.0 109.27 -177.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.0 m -133.54 118.39 18.23 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.114 0.966 . . . . 0.0 109.523 -166.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.89 144.21 21.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 121.59 -0.694 . . . . 0.0 111.748 -159.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.6 mt -119.36 132.43 69.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.019 1.327 . . . . 0.0 110.194 173.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -137.36 153.84 50.13 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.4 1.88 . . . . 0.0 112.415 -177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -77.53 117.94 68.82 Favored Pre-proline 0 CA--C 1.548 0.867 0 C-N-CA 124.584 1.154 . . . . 0.0 109.404 172.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -81.9 4.93 6.66 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.604 2.202 . . . . 0.0 114.936 -165.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -70.01 -53.01 19.54 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.101 0.864 . . . . 0.0 112.435 171.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.624 HD23 ' H ' ' A' ' 52' ' ' LEU . 1.5 pt? -111.3 11.47 21.66 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.389 1.876 . . . . 0.0 114.568 -167.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 HE21 ' CD1' ' A' ' 58' ' ' LEU . 55.8 tt0 -158.36 150.82 22.03 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.347 1.059 . . . . 0.0 110.066 -169.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 66.1 p -142.33 167.66 15.79 Favored Pre-proline 0 N--CA 1.473 0.716 0 C-N-CA 125.548 1.539 . . . . 0.0 110.611 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.75 -34.76 85.67 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.434 2.756 . . . . 0.0 111.867 165.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -58.61 -39.77 81.39 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.12 0.873 . . . . 0.0 112.685 173.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -62.84 -38.9 92.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.355 1.062 . . . . 0.0 111.871 173.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.461 ' CD1' HE21 ' A' ' 53' ' ' GLN . 0.4 OUTLIER -68.91 -44.12 73.79 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.432 1.093 . . . . 0.0 111.456 176.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -58.01 -46.12 85.76 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 124.162 0.985 . . . . 0.0 110.614 173.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -69.67 -24.9 63.67 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.38 -21.37 65.61 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.72 -1.237 . . . . 0.0 113.117 171.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.3 mm -72.05 -35.73 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.243 1.017 . . . . 0.0 111.955 167.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -72.24 -15.02 61.92 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.437 1.495 . . . . 0.0 114.8 -169.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.46 -30.4 69.64 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 123.823 0.849 . . . . 0.0 111.541 167.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -101.61 -158.87 0.7 Allowed 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 125.735 1.614 . . . . 0.0 111.464 176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.84 75.91 0.38 Allowed Glycine 0 CA--C 1.528 0.854 0 C-N-CA 125.687 1.613 . . . . 0.0 111.989 173.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -130.94 -176.9 4.15 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.073 1.349 . . . . 0.0 110.802 175.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -138.06 147.49 44.13 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.895 1.278 . . . . 0.0 109.782 -175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.0 153.14 29.04 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -168.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.4 t -143.94 141.78 24.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 C-N-CA 126.09 1.756 . . . . 0.0 109.453 171.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.8 mt -79.64 142.15 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 CA-C-N 119.494 1.043 . . . . 0.0 111.629 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -146.77 -173.75 4.3 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 124.578 1.151 . . . . 0.0 113.644 -176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.5 t30 . . . . . 0 C--O 1.252 1.219 0 C-N-CA 126.36 1.864 . . . . 0.0 112.669 -173.102 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.288 19.7 ttt . . . . . 0 N--CA 1.474 0.765 0 CA-C-O 116.619 -1.658 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -75.51 147.16 31.74 Favored 'Trans proline' 0 CA--C 1.54 0.802 0 CA-C-N 122.371 1.882 . . . . 0.0 112.739 167.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 4.3 tmtp? -114.9 136.7 52.82 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.744 2.017 . . . . 0.0 109.58 168.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -136.83 162.74 32.39 Favored 'General case' 0 CA--C 1.549 0.931 0 O-C-N 120.867 -1.146 . . . . 0.0 112.899 -167.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -132.27 132.43 43.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.328 1.451 . . . . 0.0 110.863 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -128.81 151.51 49.51 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.779 1.632 . . . . 0.0 110.861 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.1 t -123.02 131.02 53.53 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.595 1.558 . . . . 0.0 111.471 178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -121.05 150.36 24.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 C-N-CA 124.74 1.216 . . . . 0.0 109.57 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -77.33 35.62 0.18 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.936 1.294 . . . . 0.0 113.819 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 17.4 ptt? -84.89 91.59 8.07 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.572 -1.33 . . . . 0.0 112.168 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -3.59 22.53 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.642 1.577 . . . . 0.0 114.218 172.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 5.0 p -144.71 161.69 38.59 Favored 'General case' 0 CA--C 1.557 1.242 0 C-N-CA 125.771 1.628 . . . . 0.0 114.384 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.03 -25.07 69.95 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 125.378 1.466 . . . . 0.0 114.19 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.37 -39.59 94.28 Favored Glycine 0 N--CA 1.469 0.899 0 CA-C-N 119.134 1.467 . . . . 0.0 111.157 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 7.4 m -64.73 -33.58 76.31 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.414 -1.051 . . . . 0.0 113.14 169.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.65 93.28 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.832 1.196 . . . . 0.0 112.161 172.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -62.56 -41.93 99.22 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.55 -0.719 . . . . 0.0 111.502 171.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.66 93.65 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.525 -0.75 . . . . 0.0 112.121 172.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 12.1 t -53.44 -47.61 58.63 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 123.942 0.897 . . . . 0.0 110.395 171.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -66.03 -36.91 84.53 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -70.58 -33.54 71.21 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.027 0.931 . . . . 0.0 113.224 172.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 42.7 t -72.58 -40.6 62.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.003 0 C-N-CA 124.641 1.176 . . . . 0.0 112.229 174.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.72 -36.31 80.58 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.22 -0.925 . . . . 0.0 111.843 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -61.36 -17.22 52.91 Favored 'General case' 0 CA--C 1.551 0.981 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 175.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 87.1 mttt -72.56 -38.34 67.98 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.858 -1.151 . . . . 0.0 112.381 172.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.0 -54.36 10.16 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.907 1.283 . . . . 0.0 109.24 169.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 75.34 164.08 13.22 Favored Glycine 0 CA--C 1.53 0.993 0 C-N-CA 125.635 1.588 . . . . 0.0 114.517 170.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 63.96 41.57 98.6 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 124.27 0.938 . . . . 0.0 113.933 177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 4.8 m -128.21 146.3 33.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.579 1.152 . . . . 0.0 111.987 178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 63.5 mttt -101.41 109.26 21.06 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.443 1.497 . . . . 0.0 110.898 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -145.07 154.48 42.53 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 -171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.65 129.18 22.72 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.906 1.282 . . . . 0.0 111.526 176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 45.6 mt -95.71 136.93 25.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.363 1.465 . . . . 0.0 109.755 -178.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -110.1 110.8 21.82 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.846 0.859 . . . . 0.0 109.006 164.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 40.3 tp -63.99 -43.96 76.7 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-O 116.391 -1.766 . . . . 0.0 114.807 -174.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -79.45 -36.22 0.69 Allowed 'Trans proline' 0 C--N 1.353 0.805 0 CA-C-N 122.706 2.002 . . . . 0.0 113.58 -172.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -78.93 -18.05 54.47 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 120.175 1.352 . . . . 0.0 112.299 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 49.1 mttp 72.04 28.51 2.51 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.906 2.082 . . . . 0.0 112.074 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -97.06 155.26 16.87 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.42 1.088 . . . . 0.0 113.114 178.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 23.1 t -127.09 122.15 59.46 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 C-N-CA 125.452 1.501 . . . . 0.0 107.213 169.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 68.4 m -98.88 132.6 44.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.876 0.87 . . . . 0.0 108.703 175.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 21.6 mt -132.06 142.04 43.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 123.796 0.838 . . . . 0.0 110.911 -172.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 48.8 tt0 -116.87 121.52 41.73 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.935 1.294 . . . . 0.0 108.658 160.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 10.2 p -136.87 176.09 9.02 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -100.93 9.99 41.63 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 124.704 1.201 . . . . 0.0 112.134 162.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 83.2 m-70 -104.15 -179.85 4.07 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 125.602 1.561 . . . . 0.0 113.607 -165.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 48.3 t -89.15 146.94 24.47 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.95 1.3 . . . . 0.0 111.997 171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 30.8 ttm -51.92 -39.98 60.03 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.145 1.378 . . . . 0.0 111.302 170.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -57.94 -42.62 85.27 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.169 1.388 . . . . 0.0 112.256 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.3 m -70.78 -44.92 65.68 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.964 1.706 . . . . 0.0 110.971 -177.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.46 -45.9 88.71 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 123.677 0.791 . . . . 0.0 110.971 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 52.9 mt -63.37 -39.61 95.01 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 118.564 -0.731 . . . . 0.0 112.07 173.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -64.72 -29.37 70.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 120.049 1.295 . . . . 0.0 112.834 178.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 23.3 m -72.17 -54.34 9.99 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.007 0.923 . . . . 0.0 110.891 168.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 79.4 mt -57.81 -38.45 75.59 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.039 0.836 . . . . 0.0 113.247 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -60.8 -21.4 63.07 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.217 1.407 . . . . 0.0 113.693 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 22.9 mmmt -63.0 -35.18 79.37 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.471 -1.393 . . . . 0.0 111.814 172.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.46 -4.58 4.1 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 -173.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.25 55.16 3.33 Favored Glycine 0 N--CA 1.471 0.997 0 CA-C-N 119.698 1.135 . . . . 0.0 113.253 173.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -148.99 148.22 29.5 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 126.35 1.86 . . . . 0.0 112.673 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 88.5 m -65.05 113.03 3.63 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 153.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 11.7 p -131.05 141.79 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 126.603 1.961 . . . . 0.0 110.854 -173.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.8 m -146.38 153.41 40.47 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -174.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -79.02 142.07 36.9 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.88 1.272 . . . . 0.0 111.435 166.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . 0.255 0.3 OUTLIER -152.65 56.22 0.8 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 173.655 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 121.65 172.37 14.28 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 117.573 1.789 . . . . 0.0 117.573 148.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 51.9 tp -85.83 162.98 18.4 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.017 2.527 . . . . 0.0 111.42 177.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.712 1.205 . . . . 0.0 112.207 165.158 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.8 mtp . . . . . 0 N--CA 1.479 0.985 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.527 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 110.19 -129.58 9.43 Favored Glycine 0 N--CA 1.472 1.074 0 C-N-CA 125.028 1.299 . . . . 0.0 112.579 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.2 m -113.37 131.59 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.06 1.344 . . . . 0.0 111.1 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.11 121.05 41.82 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.099 1.36 . . . . 0.0 109.484 175.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.8 p -105.5 144.43 32.28 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 120.671 -1.268 . . . . 0.0 112.346 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.72 163.75 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 O-C-N 121.048 -1.032 . . . . 0.0 112.206 176.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.5 m -124.04 141.16 52.29 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.485 1.514 . . . . 0.0 109.072 176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.6 mt -132.32 136.96 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 125.153 1.381 . . . . 0.0 110.158 177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.5 p -70.49 22.52 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -163.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 12' ' ' GLY . 54.2 t -52.89 110.82 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 124.367 1.067 . . . . 0.0 113.752 -157.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -70.97 -4.64 25.79 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.845 2.058 . . . . 0.0 113.682 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.57 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -78.27 -61.87 2.41 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 124.884 1.23 . . . . 0.0 115.556 -162.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.53 120.37 18.05 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 117.98 0.89 . . . . 0.0 110.185 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.6 p -132.83 -20.96 2.2 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.638 1.175 . . . . 0.0 112.159 172.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 p -101.72 -74.0 0.64 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 127.177 2.191 . . . . 0.0 113.061 -168.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 39.2 p30 -175.14 -115.24 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.856 1.662 . . . . 0.0 112.188 -157.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.4 m -63.21 2.43 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.854 2.062 . . . . 0.0 116.219 -171.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.3 p -64.56 -30.79 71.82 Favored 'General case' 0 CA--C 1.559 1.297 0 O-C-N 120.7 -1.25 . . . . 0.0 110.984 161.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.4 m -61.67 -37.54 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.571 0.748 . . . . 0.0 112.355 171.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 10.4 t90 -61.88 -43.65 98.42 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 123.693 0.797 . . . . 0.0 111.691 177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 53.3 m -58.13 -34.06 69.83 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 118.215 -0.898 . . . . 0.0 111.874 174.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.1 mm -66.6 -49.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 CA-C-N 120.289 1.404 . . . . 0.0 111.669 172.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -60.61 -33.12 72.29 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.093 0.861 . . . . 0.0 111.795 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -70.57 -50.72 34.41 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.651 1.58 . . . . 0.0 112.383 174.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -68.07 -40.87 82.64 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.51 1.124 . . . . 0.0 112.733 -177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.5 mm -72.54 -50.28 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 124.281 1.032 . . . . 0.0 110.763 176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.08 -25.86 18.59 Favored Glycine 0 CA--C 1.533 1.166 0 C-N-CA 124.476 1.036 . . . . 0.0 113.928 174.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -58.14 -32.29 68.02 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.414 1.085 . . . . 0.0 112.838 172.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 13.7 t -79.37 -20.48 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 124.912 1.285 . . . . 0.0 113.745 -169.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 78.87 -34.78 0.16 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.99 2.116 . . . . 0.0 114.474 171.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.99 -30.97 64.83 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-N 118.691 0.678 . . . . 0.0 113.155 -177.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -38.93 132.07 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.347 1.459 . . . . 0.0 112.866 170.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.76 -28.1 8.58 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 125.759 1.624 . . . . 0.0 112.159 173.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -155.59 130.31 9.17 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.91 -1.119 . . . . 0.0 110.719 170.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.75 132.94 60.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.649 1.18 . . . . 0.0 110.849 170.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -133.33 146.32 51.21 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.468 1.507 . . . . 0.0 111.226 169.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.71 118.08 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.103 1.361 . . . . 0.0 111.065 175.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.9 m -98.54 79.59 2.5 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.316 1.446 . . . . 0.0 110.308 -174.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.5 pt? -62.29 -17.02 57.52 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.28 1.832 . . . . 0.0 115.719 -174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.55 5.28 52.31 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.789 1.236 . . . . 0.0 112.707 174.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -125.38 -30.23 3.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.124 1.77 . . . . 0.0 113.425 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 57.0 mtmt 70.86 57.07 0.22 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 128.371 2.668 . . . . 0.0 112.643 -172.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.6 p30 -141.98 158.82 43.32 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.759 1.224 . . . . 0.0 112.013 167.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.76 123.91 42.14 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 127.03 2.132 . . . . 0.0 108.718 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.2 m -117.28 129.58 55.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.793 1.237 . . . . 0.0 108.985 -176.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.6 tt -144.71 142.88 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.64 0 CA-C-O 121.638 0.732 . . . . 0.0 112.758 -170.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mt -113.43 131.93 63.76 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.485 1.514 . . . . 0.0 109.482 164.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -140.93 156.67 46.04 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.471 1.508 . . . . 0.0 113.408 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -77.22 115.3 47.82 Favored Pre-proline 0 CA--C 1.547 0.835 0 C-N-CA 125.783 1.633 . . . . 0.0 110.763 173.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -72.52 -6.18 18.56 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.3 2.667 . . . . 0.0 113.929 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -65.96 -32.05 73.32 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.943 1.247 . . . . 0.0 112.989 175.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -137.26 17.29 2.97 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -174.815 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 HE21 ' CD1' ' A' ' 58' ' ' LEU . 41.0 tt0 -151.43 143.27 23.79 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.072 0.851 . . . . 0.0 110.805 -177.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -133.62 161.41 63.94 Favored Pre-proline 0 N--CA 1.479 1.011 0 C-N-CA 125.607 1.563 . . . . 0.0 111.362 -177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_exo -60.19 -30.46 91.33 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.442 2.094 . . . . 0.0 112.944 174.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.5 tptt -60.38 -40.94 92.69 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 121.27 -0.894 . . . . 0.0 111.739 172.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 23.2 m -66.72 -31.44 72.1 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.165 1.386 . . . . 0.0 112.402 176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.415 ' CD1' HE21 ' A' ' 53' ' ' GLN . 9.3 mp -66.77 -50.74 61.71 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.426 0.69 . . . . 0.0 110.72 171.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.1 -42.22 89.96 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 123.774 0.83 . . . . 0.0 111.994 178.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -65.18 -23.61 67.14 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.435 1.894 . . . . 0.0 113.582 177.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.16 -39.21 75.46 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.543 0.737 . . . . 0.0 111.578 171.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.6 mm -73.04 -35.87 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 124.403 1.081 . . . . 0.0 112.836 177.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -64.82 -23.34 67.21 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.831 1.252 . . . . 0.0 113.577 -169.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.99 -42.52 72.58 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.472 1.509 . . . . 0.0 112.351 171.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.6 mpp? -78.33 -169.18 1.55 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.864 1.266 . . . . 0.0 110.582 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -111.88 57.9 0.42 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.204 1.383 . . . . 0.0 110.952 169.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -124.6 132.82 53.42 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.032 1.333 . . . . 0.0 110.933 -174.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -85.28 132.38 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.423 0.689 . . . . 0.0 112.05 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -150.61 127.6 11.12 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.497 1.119 . . . . 0.0 112.537 -169.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.1 t -136.25 147.73 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 127.497 2.319 . . . . 0.0 107.139 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.58 135.65 25.16 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 O-C-N 121.541 -0.725 . . . . 0.0 110.675 -174.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.406 ' CG ' ' H ' ' A' ' 73' ' ' ASN . 4.6 t-80 -145.81 -156.68 0.73 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.552 1.141 . . . . 0.0 111.243 -171.218 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' H ' ' CG ' ' A' ' 72' ' ' HIS . 7.5 p30 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.047 1.339 . . . . 0.0 112.941 -176.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 118.511 -0.757 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -53.3 136.66 63.2 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 123.564 2.843 . . . . 0.0 111.687 170.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -115.63 139.76 49.82 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.995 1.318 . . . . 0.0 111.051 -177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.91 164.22 37.1 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.961 0.904 . . . . 0.0 112.406 -162.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -128.29 140.58 51.8 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.592 1.157 . . . . 0.0 111.693 -174.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -139.43 162.85 34.04 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.526 1.53 . . . . 0.0 111.074 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -149.04 158.36 44.13 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.171 -0.956 . . . . 0.0 113.378 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.6 m -146.47 151.11 14.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 125.122 1.369 . . . . 0.0 111.231 -165.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.44 45.96 0.19 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.265 1.826 . . . . 0.0 112.747 174.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.2 tpp -77.01 75.38 3.58 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.23 1.812 . . . . 0.0 112.474 -170.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 87.2 m -91.13 87.41 6.54 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 125.965 1.706 . . . . 0.0 107.821 173.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 4.3 t -172.39 166.58 5.77 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.789 1.635 . . . . 0.0 114.578 -175.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.43 -63.14 0.76 Allowed Glycine 0 CA--C 1.529 0.967 0 C-N-CA 125.441 1.496 . . . . 0.0 110.031 157.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -62.23 -32.61 83.22 Favored Glycine 0 N--CA 1.471 0.971 0 C-N-CA 123.787 0.708 . . . . 0.0 114.198 -173.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . 0.539 ' HA ' ' HB3' ' B' ' 91' ' ' ALA . 7.1 t -68.97 -16.27 63.69 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.365 -1.079 . . . . 0.0 113.523 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.15 90.32 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 119.932 1.242 . . . . 0.0 112.156 171.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -70.04 -39.64 75.61 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.661 -0.649 . . . . 0.0 110.097 170.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . 0.539 ' HB3' ' HA ' ' B' ' 88' ' ' CYS . . . -61.01 -47.88 84.37 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.886 -1.134 . . . . 0.0 113.349 177.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.29 -29.05 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.5 1.045 . . . . 0.0 111.549 177.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 22.4 m -65.39 -48.3 73.36 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.64 -0.662 . . . . 0.0 110.531 171.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 58.8 mtt180 -61.73 -37.26 83.57 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 120.783 -1.198 . . . . 0.0 113.137 173.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 53.6 t -70.31 -36.17 65.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.418 1.087 . . . . 0.0 112.014 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 59.9 mt -64.9 -41.41 95.61 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.354 0.979 . . . . 0.0 110.77 169.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -61.05 -15.06 28.19 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 175.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -56.72 -37.12 70.51 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-N 120.417 1.462 . . . . 0.0 112.079 166.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.6 mt -71.89 -18.62 62.03 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.741 1.216 . . . . 0.0 113.521 175.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.17 -118.88 5.87 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.3 1.429 . . . . 0.0 112.544 177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.49 69.49 2.31 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 124.974 1.273 . . . . 0.0 113.205 -177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.2 134.37 40.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 C-N-CA 126.774 2.03 . . . . 0.0 109.913 165.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -89.87 129.58 36.22 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.37 1.068 . . . . 0.0 110.179 166.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.72 160.79 42.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -153.26 119.98 5.66 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.761 1.225 . . . . 0.0 112.19 173.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 80.1 mt -95.8 136.58 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 126.437 1.895 . . . . 0.0 111.033 -170.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -109.19 113.75 26.86 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.075 1.75 . . . . 0.0 109.698 170.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.4 tp -71.9 -41.05 8.66 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-O 116.658 -1.639 . . . . 0.0 114.219 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.72 -42.57 31.31 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.597 2.198 . . . . 0.0 114.745 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.73 -17.28 28.58 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 119.143 0.883 . . . . 0.0 112.565 175.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 94.0 mttt 71.59 25.46 3.33 Favored 'General case' 0 CA--C 1.553 1.078 0 C-N-CA 127.957 2.503 . . . . 0.0 112.73 -177.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -98.8 163.38 12.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.658 1.183 . . . . 0.0 112.357 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 12.4 t -138.12 131.56 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 124.646 1.178 . . . . 0.0 109.585 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 81.8 m -94.6 133.4 38.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.797 1.239 . . . . 0.0 108.908 169.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 35.5 mt -136.01 149.58 27.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 124.52 1.128 . . . . 0.0 110.41 -177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -129.6 115.03 16.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.001 0.92 . . . . 0.0 109.396 160.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 47.2 t -141.55 144.96 34.55 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.748 1.759 . . . . 0.0 115.748 -172.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -76.17 1.93 14.46 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 126.715 2.006 . . . . 0.0 115.255 172.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 60.0 m-70 -97.54 168.97 10.04 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 73.8 m -79.64 151.96 30.26 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.716 0.807 . . . . 0.0 111.81 171.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 75.2 mtm -65.4 -33.0 74.93 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.223 -0.923 . . . . 0.0 113.426 -171.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -59.75 -35.01 73.71 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.536 1.062 . . . . 0.0 112.464 172.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 16.3 m -67.51 -42.79 82.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.474 1.11 . . . . 0.0 110.491 178.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.4 -50.34 65.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.352 1.061 . . . . 0.0 110.945 175.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.7 -37.37 86.2 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.636 1.174 . . . . 0.0 112.326 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -69.53 -37.49 77.14 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.914 0.885 . . . . 0.0 112.233 175.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 96.9 m -68.11 -47.48 68.06 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.756 1.222 . . . . 0.0 110.974 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.0 mt -58.48 -53.45 58.16 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.874 0.869 . . . . 0.0 111.247 174.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -65.15 -19.26 65.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -31.06 61.53 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.173 -0.954 . . . . 0.0 112.346 174.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 44.7 p -64.87 -6.73 8.93 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.753 1.621 . . . . 0.0 114.895 175.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.31 54.96 3.36 Favored Glycine 0 C--N 1.339 0.734 0 C-N-CA 124.456 1.027 . . . . 0.0 111.675 -179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -155.58 141.0 17.73 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 -173.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 82.8 m -60.53 110.49 1.29 Allowed 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.21 1.804 . . . . 0.0 109.501 172.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 12.6 p -103.77 149.82 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 126.114 1.766 . . . . 0.0 112.805 179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 18.6 m -137.05 130.27 31.09 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.625 1.57 . . . . 0.0 111.34 176.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -79.19 132.67 36.6 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.54 0.736 . . . . 0.0 110.108 161.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 95.0 mt -134.28 54.99 1.92 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.341 1.456 . . . . 0.0 111.807 -173.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 88.92 158.95 34.72 Favored Glycine 0 CA--C 1.532 1.13 0 N-CA-C 117.036 1.574 . . . . 0.0 117.036 163.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 14.8 tp -87.13 154.55 20.65 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.277 1.831 . . . . 0.0 112.25 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 124.998 1.319 . . . . 0.0 113.06 172.515 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.0 tpp . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 120.649 0.261 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -151.1 -94.23 0.11 Allowed Glycine 0 N--CA 1.468 0.83 0 C-N-CA 124.669 1.128 . . . . 0.0 112.548 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.2 m -132.0 164.64 34.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.184 1.794 . . . . 0.0 111.798 -174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 57.4 t-20 -142.48 130.47 21.85 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.681 1.192 . . . . 0.0 110.493 170.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -98.32 142.93 29.36 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.455 1.502 . . . . 0.0 111.835 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.9 p -135.9 146.61 29.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 123.424 0.69 . . . . 0.0 110.754 164.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.8 m -118.34 132.15 56.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 126.017 1.727 . . . . 0.0 108.07 176.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt -136.64 126.1 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.59 1.556 . . . . 0.0 109.425 -171.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -72.32 116.04 12.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 162.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 84.3 t -103.32 85.74 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 176.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -58.43 -22.74 55.36 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.286 1.835 . . . . 0.0 114.684 -164.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.13 -10.44 54.62 Favored Glycine 0 CA--C 1.536 1.379 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 33.4 ttp -96.72 125.56 41.26 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.24 1.52 . . . . 0.0 111.159 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.267 4.5 t -158.21 17.85 0.23 Allowed 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.2 p -129.65 169.01 15.59 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 -67.23 -13.1 61.66 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 116.686 2.106 . . . . 0.0 116.686 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 59.5 p -108.03 -31.31 8.01 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.52 1.509 . . . . 0.0 112.899 177.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 80.7 m -66.63 -35.92 81.33 Favored 'General case' 0 CA--C 1.554 1.124 0 O-C-N 120.526 -1.359 . . . . 0.0 110.806 175.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 m -58.82 -39.57 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 38.7 t90 -69.15 -40.21 78.34 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.013 0.925 . . . . 0.0 111.106 176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 51.9 m -54.68 -44.25 73.2 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.578 1.151 . . . . 0.0 111.473 171.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.4 mm -57.52 -52.46 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 CA-C-N 119.46 1.027 . . . . 0.0 111.228 173.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.08 -33.3 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.406 1.003 . . . . 0.0 112.914 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -75.08 -43.35 53.59 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.005 0.922 . . . . 0.0 113.284 175.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -71.45 -44.07 65.49 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.482 0.713 . . . . 0.0 112.153 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 mm -70.09 -46.8 71.38 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 124.426 1.09 . . . . 0.0 110.024 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.79 -2.64 4.89 Favored Glycine 0 CA--C 1.535 1.307 0 N-CA-C 115.777 1.071 . . . . 0.0 115.777 174.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -95.77 -11.18 27.34 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.404 1.882 . . . . 0.0 112.656 168.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.3 t -85.77 104.59 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 O-C-N 121.318 -0.864 . . . . 0.0 108.733 171.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -36.8 -30.13 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 129.048 2.939 . . . . 0.0 117.958 -174.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -88.29 -16.37 59.12 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-O 118.198 -1.335 . . . . 0.0 115.814 -174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.6 m -61.06 141.05 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-N 119.878 1.839 . . . . 0.0 113.927 -167.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.8 t60 -110.8 -36.21 5.76 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.732 1.213 . . . . 0.0 112.778 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -157.02 139.94 15.27 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.518 -1.364 . . . . 0.0 112.572 175.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.54 136.37 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 C-N-CA 125.483 1.513 . . . . 0.0 111.369 171.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -137.34 140.69 41.64 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 126.659 1.984 . . . . 0.0 110.1 167.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.7 m -138.63 139.91 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 C-N-CA 124.73 1.212 . . . . 0.0 110.597 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.1 m -118.88 117.83 29.9 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.674 0.75 . . . . 0.0 112.235 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.32 -31.11 57.97 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.359 1.244 . . . . 0.0 114.359 -170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -79.61 -29.43 41.1 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 119.288 0.949 . . . . 0.0 112.112 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -90.08 -15.06 32.48 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.429 1.092 . . . . 0.0 113.389 171.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt 68.52 27.97 6.05 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.641 1.976 . . . . 0.0 113.142 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -111.65 165.32 12.13 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.209 -1.557 . . . . 0.0 112.891 -174.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -147.89 121.45 9.15 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 125.692 1.597 . . . . 0.0 110.291 -169.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.7 m -124.05 129.81 51.51 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.817 1.247 . . . . 0.0 109.604 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.408 HD13 ' N ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -149.89 135.55 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 O-C-N 121.558 -0.714 . . . . 0.0 111.058 -166.031 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.408 ' N ' HD13 ' A' ' 46' ' ' ILE . 16.8 mt -111.54 125.13 68.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 125.652 1.581 . . . . 0.0 110.614 175.168 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -123.09 159.32 28.75 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.855 2.062 . . . . 0.0 112.988 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -71.76 116.76 51.28 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 124.311 1.044 . . . . 0.0 110.504 167.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -71.18 -13.09 30.89 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 123.278 2.652 . . . . 0.0 113.621 -176.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -63.33 -48.24 78.82 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 119.765 1.166 . . . . 0.0 110.789 171.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -84.68 -61.16 1.86 Allowed 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.429 1.091 . . . . 0.0 111.323 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -93.66 168.85 10.75 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -159.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 70.3 p -140.12 168.33 15.17 Favored Pre-proline 0 N--CA 1.473 0.694 0 C-N-CA 126.641 1.977 . . . . 0.0 108.723 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.97 -29.06 71.89 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 122.472 2.115 . . . . 0.0 113.355 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -51.84 -43.03 63.01 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.008 170.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.8 m -63.79 -37.84 88.86 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.338 1.855 . . . . 0.0 111.61 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -73.32 -42.74 61.99 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 123.427 0.691 . . . . 0.0 111.94 178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.76 -35.34 72.61 Favored 'General case' 0 CA--C 1.552 1.049 0 C-N-CA 123.673 0.789 . . . . 0.0 111.329 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.37 -18.05 64.31 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 115.421 1.638 . . . . 0.0 115.421 -178.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.49 -28.29 63.82 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.158 -1.589 . . . . 0.0 112.3 169.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 9.5 mm -73.77 -41.0 54.37 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 C-N-CA 124.509 1.123 . . . . 0.0 110.89 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -63.49 -26.5 68.75 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.97 1.308 . . . . 0.0 112.912 175.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.6 -24.55 62.77 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 172.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -89.7 -163.36 0.99 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.943 1.297 . . . . 0.0 110.739 167.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -117.24 58.64 0.49 Allowed Glycine 0 CA--C 1.53 0.982 0 C-N-CA 125.198 1.38 . . . . 0.0 111.886 174.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -137.07 -176.24 4.31 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.405 1.882 . . . . 0.0 111.441 -168.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -146.61 155.23 42.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.191 1.397 . . . . 0.0 109.503 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -148.36 168.74 21.81 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -172.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.5 t -145.96 131.68 13.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 125.168 1.387 . . . . 0.0 110.096 -176.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.3 mt -74.22 132.32 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.677 -0.639 . . . . 0.0 111.4 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -147.96 34.07 0.83 Allowed 'General case' 0 CA--C 1.556 1.185 0 C-N-CA 125.592 1.557 . . . . 0.0 113.284 -166.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--O 1.249 1.072 0 O-C-N 120.796 -1.19 . . . . 0.0 110.814 171.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 90.9 mtp . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 118.16 -0.924 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.24 168.65 24.21 Favored 'Trans proline' 0 CA--C 1.536 0.585 0 C-N-CA 123.305 2.67 . . . . 0.0 111.235 171.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -111.63 151.23 29.05 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.156 0.982 . . . . 0.0 113.398 174.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -157.21 169.44 24.76 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 110.832 176.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -125.44 156.48 38.81 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.844 1.258 . . . . 0.0 110.81 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -144.45 140.55 29.03 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 123.346 0.658 . . . . 0.0 109.97 173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.0 t -88.1 132.82 34.16 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 159.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -131.61 141.47 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.332 1.053 . . . . 0.0 108.562 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -70.17 1.75 4.43 Favored 'General case' 0 CA--C 1.548 0.884 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -167.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 23.5 ptt? -67.08 121.93 16.66 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.345 1.058 . . . . 0.0 112.82 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.1 t -100.36 -10.31 21.35 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 125.78 1.632 . . . . 0.0 111.457 164.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 11.6 m -60.21 -31.46 70.19 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 127.907 2.483 . . . . 0.0 116.432 -150.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.06 -85.83 1.56 Allowed Glycine 0 CA--C 1.523 0.586 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -157.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.46 -27.71 66.25 Favored Glycine 0 CA--C 1.535 1.298 0 CA-C-N 118.238 1.019 . . . . 0.0 115.416 -171.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 8.6 t -59.75 -20.72 58.35 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 118.752 1.276 . . . . 0.0 113.855 174.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.15 -41.75 75.88 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.344 1.058 . . . . 0.0 112.504 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -70.37 -34.77 72.99 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 123.339 0.656 . . . . 0.0 111.257 171.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.99 70.53 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.827 -1.17 . . . . 0.0 112.58 176.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.1 m -60.92 -36.52 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.126 0.876 . . . . 0.0 111.406 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 70.2 m -62.68 -32.98 74.16 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.239 0.829 . . . . 0.0 113.239 174.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -72.21 -44.3 63.16 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.987 1.315 . . . . 0.0 112.1 169.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.31 -40.69 85.35 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 124.561 1.144 . . . . 0.0 112.588 -174.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.44 -30.99 66.69 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.905 -1.122 . . . . 0.0 112.21 173.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -67.22 -6.83 19.8 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -63.62 -32.25 73.67 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 121.264 -0.897 . . . . 0.0 111.587 165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.66 -50.08 33.89 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.011 0.924 . . . . 0.0 110.153 167.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 81.09 147.79 5.66 Favored Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.732 1.158 . . . . 0.0 112.236 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 78.22 52.62 5.16 Favored Glycine 0 CA--C 1.527 0.834 0 O-C-N 121.989 -0.712 . . . . 0.0 111.325 -173.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 29.2 m -136.47 140.89 42.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 124.195 0.998 . . . . 0.0 112.431 -177.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -120.3 145.17 47.35 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 127.396 2.278 . . . . 0.0 110.745 175.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -129.57 162.41 28.29 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.343 1.057 . . . . 0.0 113.686 179.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -132.88 152.02 51.93 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.026 1.33 . . . . 0.0 109.05 138.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 27.0 mt -133.39 145.79 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.409 1.084 . . . . 0.0 110.647 -168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -138.76 107.77 6.01 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.124 1.37 . . . . 0.0 110.333 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -71.8 -46.35 12.24 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-O 116.53 -1.7 . . . . 0.0 113.158 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_exo -56.72 -31.0 86.43 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.176 2.584 . . . . 0.0 115.101 177.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -97.48 -6.91 32.73 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 173.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 72.7 mttt 55.07 33.85 21.25 Favored 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 127.841 2.457 . . . . 0.0 114.05 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -111.23 159.51 17.84 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.3 1.04 . . . . 0.0 113.206 -178.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.08 138.87 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.029 1.332 . . . . 0.0 109.819 167.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 71.0 m -110.86 107.32 16.75 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.981 1.712 . . . . 0.0 108.452 175.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 33.3 mt -109.57 141.74 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.42 1.088 . . . . 0.0 111.57 -172.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -115.96 114.08 24.14 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.294 1.838 . . . . 0.0 107.821 163.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 34.9 t -128.2 146.25 50.78 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -165.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -75.03 -10.2 59.25 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 125.093 1.357 . . . . 0.0 113.787 164.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -123.57 157.38 33.81 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.307 1.843 . . . . 0.0 112.41 -174.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 84.7 p -76.36 157.08 32.72 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 115.459 1.651 . . . . 0.0 115.459 -169.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -33.1 70.71 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.148 0.795 . . . . 0.0 113.148 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -62.77 -37.16 85.56 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.488 1.115 . . . . 0.0 112.373 171.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 27.6 m -71.57 -42.33 67.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.336 1.454 . . . . 0.0 110.774 175.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.14 -45.03 90.31 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.707 0.803 . . . . 0.0 110.316 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 48.7 mt -56.22 -54.74 41.7 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 124.921 1.289 . . . . 0.0 110.766 170.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -56.78 -38.68 72.86 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 119.857 1.208 . . . . 0.0 112.847 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 50.3 m -63.04 -53.4 54.44 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.427 1.091 . . . . 0.0 110.823 177.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.45 -35.92 76.11 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.276 0.843 . . . . 0.0 113.276 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -68.84 -40.3 79.47 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.471 0.709 . . . . 0.0 111.531 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.15 -37.01 75.15 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.309 0.959 . . . . 0.0 112.065 175.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 15.4 m -58.01 -24.6 58.87 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.185 1.794 . . . . 0.0 112.844 167.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 94.14 29.12 9.93 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 125.664 1.602 . . . . 0.0 116.289 166.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -111.85 152.13 28.29 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.431 1.616 . . . . 0.0 112.75 170.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 93.9 m -76.35 111.07 11.41 Favored 'General case' 0 CA--C 1.516 -0.343 0 C-N-CA 125.722 1.609 . . . . 0.0 108.971 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -121.5 138.65 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 126.619 1.967 . . . . 0.0 111.827 -175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 45.1 m -132.05 115.97 16.47 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.1 1.36 . . . . 0.0 111.259 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.15 139.54 37.99 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.942 1.297 . . . . 0.0 114.043 -176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 82.2 mt -132.97 150.51 52.15 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 128.183 2.593 . . . . 0.0 110.133 176.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.24 -152.21 10.28 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 116.924 1.529 . . . . 0.0 116.924 -162.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.9 157.22 38.26 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.751 2.02 . . . . 0.0 113.506 -168.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 126.667 1.987 . . . . 0.0 113.725 177.836 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 -162.05 16.89 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.302 1.429 . . . . 0.0 110.564 -160.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 2.4 m -56.67 134.65 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 CA-C-N 118.694 1.247 . . . . 0.0 113.266 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -127.61 139.57 52.66 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.32 1.448 . . . . 0.0 110.52 169.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.2 p -104.59 147.29 27.79 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.731 0.813 . . . . 0.0 113.033 179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.0 164.76 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.139 0.976 . . . . 0.0 111.021 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -135.39 142.87 45.77 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 125.854 1.662 . . . . 0.0 109.954 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt -130.26 124.89 58.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 C-N-CA 125.543 1.537 . . . . 0.0 109.92 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.3 m -63.45 79.54 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.381 1.073 . . . . 0.0 109.211 162.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.7 t -79.85 95.01 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 106.898 -1.519 . . . . 0.0 106.898 164.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -70.17 -43.15 71.4 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -157.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.4 0.77 89.25 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 -164.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 44.2 mtm -61.78 138.97 58.38 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.149 1.474 . . . . 0.0 114.739 -169.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -168.3 -38.67 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.799 1.639 . . . . 0.0 114.221 172.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -67.45 136.97 55.5 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 120.297 1.408 . . . . 0.0 112.596 -175.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.89 -35.52 76.85 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.232 1.013 . . . . 0.0 112.414 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.0 p -88.32 -21.69 24.25 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 175.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 83.9 m -67.47 -45.37 76.13 Favored 'General case' 0 CA--C 1.553 1.079 0 O-C-N 120.275 -1.515 . . . . 0.0 111.738 166.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -63.89 -35.44 73.28 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 119.594 1.088 . . . . 0.0 111.957 174.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.2 t90 -64.17 -38.06 89.69 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 123.715 0.806 . . . . 0.0 112.42 169.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 87.5 m -56.81 -37.76 71.64 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.279 1.031 . . . . 0.0 111.083 175.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mm -55.22 -48.61 76.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.335 0 CA-C-N 119.985 1.266 . . . . 0.0 111.48 173.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -68.86 -32.89 72.89 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.47 1.508 . . . . 0.0 112.327 -177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -71.61 -43.58 65.96 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.715 0.806 . . . . 0.0 111.934 171.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -73.4 -50.47 21.64 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.093 0.957 . . . . 0.0 113.027 -174.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG23 HG21 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.77 -35.95 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.435 -0.79 . . . . 0.0 111.616 -174.098 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.24 -21.36 39.53 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 124.016 0.817 . . . . 0.0 114.217 172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -64.94 -23.76 67.32 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 118.686 1.243 . . . . 0.0 113.739 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 47.1 t -79.36 -16.44 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 -170.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 84.31 -40.1 0.07 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 129.489 3.116 . . . . 0.0 111.694 -173.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.25 -8.64 86.12 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-O 118.22 -1.322 . . . . 0.0 116.296 -169.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.409 HG21 HG23 ' A' ' 26' ' ' ILE . 88.2 t -71.73 126.9 33.03 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 CA-C-N 120.873 2.337 . . . . 0.0 110.42 169.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -95.63 -33.73 12.25 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.888 1.275 . . . . 0.0 112.054 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -156.56 130.54 8.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.449 1.1 . . . . 0.0 110.991 170.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.91 130.11 66.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.889 1.276 . . . . 0.0 111.419 173.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -126.72 146.0 50.38 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.626 1.97 . . . . 0.0 110.437 171.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.3 m -136.87 146.19 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.011 1.324 . . . . 0.0 110.035 172.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.7 m -134.21 109.58 8.97 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.912 1.285 . . . . 0.0 109.322 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 pp -82.11 -31.65 30.55 Favored 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 114.216 1.191 . . . . 0.0 114.216 -166.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -87.87 -31.55 19.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.255 0.934 . . . . 0.0 110.877 177.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -75.84 0.12 19.24 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 123.636 0.775 . . . . 0.0 112.604 163.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt 47.03 46.45 15.95 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 127.175 2.19 . . . . 0.0 114.586 172.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -151.81 164.1 37.77 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 121.054 -1.029 . . . . 0.0 113.699 -176.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -124.26 121.7 35.76 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.938 2.095 . . . . 0.0 109.296 -177.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 88.3 m -112.06 141.02 46.25 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.645 1.578 . . . . 0.0 109.274 -178.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.2 tt -155.85 145.05 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 120.998 -1.064 . . . . 0.0 113.283 -170.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 40.6 mt -114.26 134.16 58.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.287 1.435 . . . . 0.0 108.838 165.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -138.66 157.51 45.98 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.634 1.174 . . . . 0.0 114.042 -178.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -85.99 108.41 16.91 Favored Pre-proline 0 CA--C 1.547 0.853 0 C-N-CA 128.041 2.536 . . . . 0.0 109.098 173.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -69.17 -16.09 39.8 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.418 2.746 . . . . 0.0 113.428 -167.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -61.53 -33.24 73.49 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.625 0.648 . . . . 0.0 112.646 171.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 mp -112.07 -22.72 10.86 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.555 1.542 . . . . 0.0 113.449 -175.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -122.02 159.24 27.43 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.306 1.042 . . . . 0.0 112.851 -172.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -150.99 157.92 35.11 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.877 2.071 . . . . 0.0 110.41 174.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.29 -31.64 77.6 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 123.419 2.746 . . . . 0.0 113.435 175.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -54.63 -61.83 2.05 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.133 0.573 . . . . 0.0 111.871 169.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 91.9 m -55.45 -32.35 62.7 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.344 1.458 . . . . 0.0 112.235 -178.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 mp -63.32 -41.58 98.92 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.977 0.911 . . . . 0.0 112.074 174.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -68.04 -30.34 69.53 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.962 0.726 . . . . 0.0 112.962 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -70.35 -22.38 62.79 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.65 -32.51 73.88 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.947 0.794 . . . . 0.0 112.463 171.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.0 mm -70.42 -46.74 69.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 C-N-CA 124.206 1.003 . . . . 0.0 110.243 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -75.3 -6.39 49.62 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -70.12 -33.32 71.69 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.452 1.024 . . . . 0.0 111.047 171.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -91.07 -120.28 0.07 Allowed 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 157.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.29 79.48 0.17 Allowed Glycine 0 CA--C 1.525 0.693 0 CA-C-N 119.256 0.935 . . . . 0.0 114.957 177.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -132.98 179.4 6.2 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.539 1.536 . . . . 0.0 111.184 174.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -123.0 137.47 54.95 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.522 1.529 . . . . 0.0 110.227 -173.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.19 141.63 17.63 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -168.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.7 t -136.62 135.41 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 125.773 1.629 . . . . 0.0 109.818 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -74.68 135.4 27.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 121.231 -0.918 . . . . 0.0 111.502 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -162.26 75.42 0.45 Allowed 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 124.988 1.315 . . . . 0.0 111.518 -164.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t30 . . . . . 0 C--O 1.251 1.159 0 C-N-CA 124.776 1.231 . . . . 0.0 112.997 172.794 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 24.9 ttt . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 116.079 -1.915 . . . . 0.0 114.81 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.71 143.17 33.35 Favored 'Trans proline' 0 C--N 1.355 0.913 0 CA-C-N 122.939 2.085 . . . . 0.0 113.123 -171.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -81.29 144.89 31.21 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.569 1.548 . . . . 0.0 112.641 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.2 163.12 37.97 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 -178.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -118.72 144.87 45.97 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.379 1.472 . . . . 0.0 112.103 -165.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -141.37 158.76 43.44 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.748 2.019 . . . . 0.0 110.575 177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 8.7 t -150.39 151.52 32.95 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 120.421 -1.425 . . . . 0.0 113.576 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -138.46 166.42 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.894 1.678 . . . . 0.0 112.195 -166.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.71 27.94 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 127.869 2.468 . . . . 0.0 113.361 167.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 46.4 ttp -83.24 98.22 9.28 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 127.374 2.27 . . . . 0.0 111.836 -174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 8.3 t -107.89 25.05 12.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.732 1.213 . . . . 0.0 110.515 165.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 36.5 t -138.12 129.62 27.85 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 127.327 2.251 . . . . 0.0 112.257 -160.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.17 -24.26 76.72 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.062 0.839 . . . . 0.0 112.775 171.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.34 -33.59 68.54 Favored Glycine 0 N--CA 1.467 0.754 0 CA-C-N 118.66 1.23 . . . . 0.0 111.658 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 48.6 t -66.91 -41.66 86.72 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 118.23 1.015 . . . . 0.0 111.37 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.37 -40.51 94.56 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-N 119.78 1.173 . . . . 0.0 112.93 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.47 -47.82 83.95 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.995 0.918 . . . . 0.0 110.861 170.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.6 -47.42 85.56 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.422 -0.799 . . . . 0.0 112.47 178.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 22.3 t -50.18 -46.21 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.496 1.519 . . . . 0.0 110.31 171.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 19.4 m -62.81 -53.68 50.49 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 122.72 0.408 . . . . 0.0 111.226 178.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -62.5 -33.91 75.81 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 18.8 t -70.63 -46.55 69.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 126.007 1.723 . . . . 0.0 111.129 176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 63.8 mt -65.95 -34.17 77.5 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 121.716 -0.615 . . . . 0.0 111.946 178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -64.73 -18.17 64.8 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.277 1.214 . . . . 0.0 114.277 177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -70.38 -33.61 71.61 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.715 1.143 . . . . 0.0 112.683 170.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -75.48 -38.49 59.53 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.149 1.379 . . . . 0.0 111.453 166.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.65 -61.67 4.1 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 125.602 1.572 . . . . 0.0 114.538 161.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.34 57.34 3.7 Favored Glycine 0 N--CA 1.472 1.096 0 C-N-CA 125.821 1.677 . . . . 0.0 113.778 -171.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.66 127.9 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 125.634 1.574 . . . . 0.0 112.066 -171.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -80.08 132.77 36.03 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.162 0.985 . . . . 0.0 108.548 155.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -152.87 148.89 27.68 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 114.985 1.476 . . . . 0.0 114.985 173.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -138.88 132.46 30.48 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.691 1.597 . . . . 0.0 111.25 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 60.2 mt -111.53 136.13 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 125.022 1.329 . . . . 0.0 110.436 -167.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -126.64 109.13 11.75 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.781 1.232 . . . . 0.0 111.557 176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.26 -36.13 3.06 Favored Pre-proline 0 CA--C 1.551 1.019 0 CA-C-O 116.991 -1.481 . . . . 0.0 114.117 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -61.72 -34.13 84.2 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.903 2.402 . . . . 0.0 114.713 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -88.76 -24.6 22.61 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.356 0.98 . . . . 0.0 113.048 170.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 76.5 mttt 76.75 27.1 0.77 Allowed 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 128.355 2.662 . . . . 0.0 112.224 -172.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -98.3 154.24 17.95 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 127.383 2.273 . . . . 0.0 113.11 -168.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 42.0 t -134.69 125.71 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.254 1.822 . . . . 0.0 106.918 169.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.62 138.83 47.66 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 123.596 0.759 . . . . 0.0 110.063 176.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 49.0 mt -126.01 145.65 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.483 1.113 . . . . 0.0 111.32 -174.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -130.67 117.62 19.73 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.666 1.186 . . . . 0.0 110.122 163.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 33.5 t -153.13 170.43 20.53 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.225 -1.547 . . . . 0.0 113.07 -178.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -93.7 -2.1 54.31 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.567 1.147 . . . . 0.0 112.581 166.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -81.74 154.79 25.83 Favored 'General case' 0 CA--C 1.548 0.873 0 O-C-N 120.7 -1.25 . . . . 0.0 112.235 172.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 30.3 t -69.87 141.19 53.23 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.071 1.348 . . . . 0.0 112.691 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -23.5 61.99 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -68.34 -42.43 79.3 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.35 1.46 . . . . 0.0 111.58 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 21.0 m -69.13 -43.25 74.76 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 126.086 1.754 . . . . 0.0 111.083 174.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -64.49 -42.49 95.82 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.454 0.702 . . . . 0.0 111.083 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 25.8 tp -69.35 -37.79 77.81 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 119.07 0.85 . . . . 0.0 112.358 176.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -63.0 -30.87 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.224 0.92 . . . . 0.0 112.832 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 72.1 m -71.84 -51.75 20.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.845 1.258 . . . . 0.0 110.451 173.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 72.1 mt -57.92 -35.14 70.65 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.156 0.982 . . . . 0.0 113.121 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -63.95 -7.82 9.53 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.653 1.353 . . . . 0.0 114.653 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -72.22 -21.88 61.34 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.566 -1.334 . . . . 0.0 114.1 165.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 77.3 p -65.91 -30.14 70.68 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.491 1.117 . . . . 0.0 113.279 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 85.01 12.96 72.88 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 125.217 1.389 . . . . 0.0 114.679 175.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -110.1 146.67 35.02 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.143 1.377 . . . . 0.0 109.601 168.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 30.5 m -61.03 101.32 0.15 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.343 1.057 . . . . 0.0 111.318 -176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 9.8 p -96.25 142.97 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 125.106 1.362 . . . . 0.0 113.221 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 8.8 m -138.53 149.07 44.97 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.933 1.693 . . . . 0.0 111.523 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -92.66 143.17 26.58 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.316 1.846 . . . . 0.0 111.677 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.4 mt -133.4 46.99 2.52 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 124.567 1.147 . . . . 0.0 112.756 -176.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.1 -175.34 50.9 Favored Glycine 0 CA--C 1.538 1.506 0 N-CA-C 116.246 1.258 . . . . 0.0 116.246 170.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 8.7 mp -80.93 152.65 27.96 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.07 2.148 . . . . 0.0 111.262 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 C--O 1.256 1.415 0 C-N-CA 125.057 1.343 . . . . 0.0 112.767 171.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 mpp? . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.296 0.093 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.96 -98.39 0.18 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 123.923 0.773 . . . . 0.0 111.921 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -149.86 123.08 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.003 1.321 . . . . 0.0 110.412 177.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -96.46 130.86 43.52 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.893 0.877 . . . . 0.0 110.032 172.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -96.0 141.62 29.19 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.974 0.91 . . . . 0.0 110.324 173.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.9 p -144.4 147.44 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 121.34 -0.85 . . . . 0.0 111.564 173.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 44.2 m -110.6 123.13 49.39 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.744 1.218 . . . . 0.0 108.816 169.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 18.4 mt -111.61 126.83 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 124.956 1.302 . . . . 0.0 108.185 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.9 m -69.72 125.33 26.41 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 120.792 -1.192 . . . . 0.0 108.474 165.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.3 t -126.43 91.69 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.076 1.75 . . . . 0.0 107.334 -178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -73.87 -25.92 60.29 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -161.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.94 -1.59 65.23 Favored Glycine 0 N--CA 1.476 1.344 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -176.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 38.4 ttp -96.52 114.97 26.67 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.837 1.255 . . . . 0.0 111.011 -174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -129.6 -8.96 4.57 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -167.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.5 p -143.57 173.79 11.33 Favored 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 117.038 2.236 . . . . 0.0 117.038 -166.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -73.08 -25.99 61.09 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 126.596 1.958 . . . . 0.0 115.181 -170.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 62.7 p -90.46 -26.97 19.56 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.64 1.109 . . . . 0.0 112.966 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.2 m -63.45 -53.88 45.33 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 124.537 1.135 . . . . 0.0 110.327 168.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.7 m -58.21 -30.37 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 37.1 t90 -59.75 -37.13 78.14 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.773 0.829 . . . . 0.0 111.696 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.0 m -65.45 -44.02 88.56 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.134 1.374 . . . . 0.0 111.775 -171.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 mp -62.39 -42.75 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 66.8 tt0 -61.18 -45.66 93.71 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.77 1.228 . . . . 0.0 112.33 -177.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -74.57 -36.52 63.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.538 1.135 . . . . 0.0 112.586 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -70.84 -43.9 67.56 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.985 0.812 . . . . 0.0 111.743 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG23 HG11 ' A' ' 32' ' ' VAL 0.258 1.1 tp -73.45 -39.75 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -177.06 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -47.13 -32.56 6.67 Favored Glycine 0 CA--C 1.543 1.788 0 CA-C-N 118.71 0.686 . . . . 0.0 114.787 168.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -71.22 -13.23 61.85 Favored 'General case' 0 CA--C 1.551 1.018 0 O-C-N 121.076 -1.25 . . . . 0.0 114.013 174.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.85 -16.66 10.86 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 O-C-N 120.634 -1.291 . . . . 0.0 111.641 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 76.25 -40.83 0.4 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 128.275 2.63 . . . . 0.0 114.86 169.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.95 -23.58 77.8 Favored Glycine 0 CA--C 1.531 1.039 0 C-N-CA 124.524 1.059 . . . . 0.0 113.591 -175.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG11 HG23 ' A' ' 26' ' ' ILE . 27.4 m -45.48 128.55 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.01 1.724 . . . . 0.0 112.413 168.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.9 m80 -110.5 -23.74 10.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.279 1.032 . . . . 0.0 113.062 178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -159.16 143.61 15.45 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.778 1.172 . . . . 0.0 109.669 164.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.57 131.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 124.635 1.174 . . . . 0.0 111.553 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -132.37 138.65 47.8 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.666 1.986 . . . . 0.0 109.317 167.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 m -142.12 124.56 13.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.202 1.001 . . . . 0.0 109.899 176.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.6 m -107.05 107.41 18.4 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -165.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.82 -28.61 70.12 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 -174.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.89 -15.78 21.03 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.324 1.049 . . . . 0.0 113.121 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -99.44 -12.28 20.36 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.328 1.051 . . . . 0.0 112.695 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.56 41.26 32.12 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 124.426 1.09 . . . . 0.0 111.331 -175.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -142.48 164.53 29.88 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 120.477 -1.389 . . . . 0.0 112.73 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -138.44 109.29 6.69 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.367 1.867 . . . . 0.0 108.529 -165.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.7 m -112.58 112.47 24.02 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.934 1.694 . . . . 0.0 108.499 -168.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.7 tt -145.2 151.97 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.124 -0.985 . . . . 0.0 113.169 -164.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.8 mt -119.43 131.79 71.07 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 125.838 1.655 . . . . 0.0 110.208 172.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 34.4 p90 -136.69 149.45 47.93 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.141 1.776 . . . . 0.0 112.954 -178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -72.66 121.6 85.34 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.264 1.026 . . . . 0.0 110.628 164.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -67.6 -20.33 47.2 Favored 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.944 2.429 . . . . 0.0 114.385 -178.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.7 mtmm -65.54 -51.19 61.74 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.856 1.207 . . . . 0.0 110.764 177.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.3 mp -79.01 -21.24 47.26 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.587 1.329 . . . . 0.0 114.587 -177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -160.87 167.09 27.38 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.809 1.186 . . . . 0.0 113.963 -167.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.1 p -136.05 167.8 20.2 Favored Pre-proline 0 N--CA 1.47 0.571 0 C-N-CA 126.197 1.799 . . . . 0.0 110.327 -176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -50.71 -33.82 41.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.378 2.719 . . . . 0.0 112.671 162.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.7 tttt -61.57 -44.86 96.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.658 -0.651 . . . . 0.0 112.233 174.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.1 m -56.97 -36.06 69.89 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 124.586 1.154 . . . . 0.0 112.319 175.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 mp -67.7 -41.27 83.86 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.564 1.146 . . . . 0.0 112.302 175.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -56.32 -35.59 67.76 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.361 0.982 . . . . 0.0 112.422 176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -68.72 -32.36 72.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.831 1.049 . . . . 0.0 113.831 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.76 -28.75 68.65 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.207 0.458 . . . . 0.0 111.984 177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 10.7 mm -72.43 -43.07 64.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 124.735 1.214 . . . . 0.0 111.163 173.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -68.92 -31.41 70.28 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.2 1.0 . . . . 0.0 112.655 177.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.75 -20.07 60.49 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.324 1.05 . . . . 0.0 113.019 173.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 75.8 mtm -91.51 -118.39 0.07 Allowed 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.202 1.401 . . . . 0.0 109.766 168.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -157.83 56.14 0.37 Allowed Glycine 0 C--N 1.338 0.69 0 O-C-N 120.803 -1.186 . . . . 0.0 113.14 174.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.03 -178.29 4.96 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.804 0.842 . . . . 0.0 112.054 -174.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -128.68 143.1 50.86 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 126.804 2.042 . . . . 0.0 110.568 -174.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.94 163.39 35.29 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -175.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.26 132.03 12.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 125.299 1.44 . . . . 0.0 109.748 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 57.0 mt -81.06 118.91 29.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.529 -0.732 . . . . 0.0 109.094 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -125.53 -172.49 2.61 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.429 1.092 . . . . 0.0 112.453 -166.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 30.6 t30 . . . . . 0 C--O 1.255 1.347 0 C-N-CA 125.347 1.459 . . . . 0.0 112.118 179.221 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptt? . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -75.51 90.61 1.11 Allowed 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 123.282 2.654 . . . . 0.0 109.854 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -113.09 128.22 56.43 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 125.404 1.481 . . . . 0.0 110.039 176.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -149.35 150.59 32.71 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.724 1.21 . . . . 0.0 112.334 -163.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 65.8 mt-10 -129.72 141.12 50.94 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -159.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -137.57 137.75 38.87 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.282 1.433 . . . . 0.0 109.939 -178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 20.6 t -105.56 135.02 47.72 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.996 1.318 . . . . 0.0 112.43 -176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 5.7 t -140.52 145.97 25.01 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.108 1.363 . . . . 0.0 109.32 -177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -75.45 56.61 0.87 Allowed 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.291 1.436 . . . . 0.0 112.952 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.5 ptt? -85.28 83.7 7.9 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.131 1.372 . . . . 0.0 112.158 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 21.9 m -69.31 -18.03 63.78 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.053 1.341 . . . . 0.0 112.273 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.4 p -132.93 173.97 10.83 Favored 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 126.326 1.851 . . . . 0.0 114.066 172.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -70.75 -10.48 67.58 Favored Glycine 0 CA--C 1.535 1.32 0 C-N-CA 125.181 1.372 . . . . 0.0 113.942 172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -70.37 -52.34 17.58 Favored Glycine 0 N--CA 1.468 0.83 0 CA-C-N 118.837 1.318 . . . . 0.0 111.036 175.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 10.0 m -59.01 -35.33 73.07 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 117.54 0.67 . . . . 0.0 112.451 170.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.43 87.99 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 173.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -70.33 -36.97 74.6 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 121.188 -0.945 . . . . 0.0 111.742 171.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.12 -50.47 73.57 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.759 -1.213 . . . . 0.0 112.183 174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 33.9 m -64.08 -27.45 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-N 118.656 0.662 . . . . 0.0 112.268 175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 67.2 m -68.28 -48.75 64.17 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.63 -0.669 . . . . 0.0 111.178 173.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -72.72 -34.24 66.96 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 114.6 1.333 . . . . 0.0 114.6 -178.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 2.8 p -67.19 -32.73 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 CA-C-N 119.51 1.05 . . . . 0.0 112.098 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 66.9 mt -69.11 -31.86 70.87 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.722 0.809 . . . . 0.0 112.826 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -57.41 -17.43 12.88 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.658 1.183 . . . . 0.0 113.992 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -61.75 -30.47 70.8 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 120.454 -1.404 . . . . 0.0 113.265 169.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.7 mt -72.0 -8.32 53.85 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.404 1.081 . . . . 0.0 113.336 173.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.86 -134.6 12.15 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.946 1.26 . . . . 0.0 110.46 -172.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.01 127.4 7.92 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 119.353 -0.693 . . . . 0.0 111.975 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 5.3 m -141.13 131.0 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 125.198 1.399 . . . . 0.0 110.159 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -83.91 121.65 27.65 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.892 0.877 . . . . 0.0 109.994 172.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 22.1 p90 -157.91 160.64 37.83 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -125.66 162.35 25.2 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 128.423 2.689 . . . . 0.0 109.772 173.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 64.6 mt -129.54 129.73 66.89 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.294 175.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -105.38 88.55 2.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.977 1.711 . . . . 0.0 108.345 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 22.6 tp -67.82 -37.5 12.04 Favored Pre-proline 0 CA--C 1.545 0.788 0 CA-C-O 116.591 -1.671 . . . . 0.0 113.556 -173.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -58.72 -42.51 52.82 Favored 'Trans proline' 0 C--N 1.355 0.871 0 C-N-CA 122.818 2.345 . . . . 0.0 113.432 172.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -89.16 -0.2 57.25 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm 61.78 29.96 18.18 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.406 1.882 . . . . 0.0 113.811 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -121.09 151.88 39.33 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 120.966 -1.084 . . . . 0.0 113.671 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.6 p -99.54 140.08 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 124.38 1.072 . . . . 0.0 108.457 164.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 57.6 m -120.06 93.65 4.13 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.466 1.507 . . . . 0.0 108.098 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.9 mt -88.78 151.55 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 125.211 1.404 . . . . 0.0 111.14 -178.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -127.79 59.33 1.47 Allowed 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 128.131 2.572 . . . . 0.0 109.62 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 36.6 t -111.02 161.0 16.32 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 119.767 -1.833 . . . . 0.0 114.183 -167.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.64 -7.32 59.25 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 120.722 -1.236 . . . . 0.0 113.316 168.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -69.74 144.7 52.68 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.276 -0.89 . . . . 0.0 113.159 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.31 144.79 51.6 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.288 0.635 . . . . 0.0 110.547 168.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.43 -29.27 69.84 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -166.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.41 -24.22 67.15 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.168 1.387 . . . . 0.0 112.786 177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.82 -45.36 64.72 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 126.675 1.99 . . . . 0.0 110.875 172.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 79.1 mt -69.62 -46.82 65.34 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.177 1.391 . . . . 0.0 109.946 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 55.6 tp -56.02 -46.01 78.94 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.055 1.342 . . . . 0.0 111.855 174.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.0 -45.04 96.45 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 118.921 0.782 . . . . 0.0 112.246 176.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 68.9 m -64.18 -41.26 97.18 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.134 0.973 . . . . 0.0 111.435 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 89.2 mt -66.78 -44.5 81.16 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.619 0.767 . . . . 0.0 111.713 174.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -58.25 -22.24 51.56 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 173.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -58.7 -29.51 66.7 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.95 -1.094 . . . . 0.0 112.81 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -58.88 -30.74 67.99 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 126.857 2.063 . . . . 0.0 114.64 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 89.8 10.38 65.01 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.63 1.586 . . . . 0.0 114.541 -173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -92.76 164.8 13.23 Favored 'General case' 0 N--CA 1.477 0.909 0 CA-C-N 119.404 1.602 . . . . 0.0 113.665 173.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 38.7 m -78.41 105.56 9.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.918 1.287 . . . . 0.0 109.258 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 39.1 t -111.94 141.22 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.946 1.698 . . . . 0.0 110.647 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 57.9 m -133.55 147.8 51.59 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.335 1.054 . . . . 0.0 111.424 165.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -80.27 125.0 29.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.14 0.976 . . . . 0.0 111.09 170.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -115.79 51.24 0.96 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.753 1.621 . . . . 0.0 110.384 -178.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 75.49 -167.43 54.8 Favored Glycine 0 CA--C 1.534 1.232 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 161.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -124.32 134.46 53.17 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 126.606 1.962 . . . . 0.0 109.929 -166.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 . . . . . 0 C--O 1.253 1.259 0 C-N-CA 123.847 0.859 . . . . 0.0 112.035 176.308 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.7 ttp . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.67 -172.79 18.79 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.129 1.347 . . . . 0.0 113.744 178.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.2 144.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.674 1.59 . . . . 0.0 110.446 172.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -131.35 145.58 51.91 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.638 1.175 . . . . 0.0 109.718 169.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -144.64 122.85 12.21 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.634 -0.666 . . . . 0.0 110.29 -153.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -154.24 152.23 9.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -158.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 98.2 m -122.4 139.97 53.23 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.411 1.484 . . . . 0.0 111.275 174.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -129.31 129.43 67.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 127.832 2.453 . . . . 0.0 107.869 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.1 t -70.22 120.49 15.98 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 119.945 -1.722 . . . . 0.0 108.595 162.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 68.0 t -98.64 87.68 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 164.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -52.99 -31.25 39.88 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.492 2.317 . . . . 0.0 114.169 -169.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -91.2 -1.02 72.91 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.547 1.07 . . . . 0.0 115.1 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 29.4 ttp -76.62 133.08 39.73 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 118.924 1.362 . . . . 0.0 111.77 -178.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -161.21 -16.32 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 18' ' ' CYS . 30.1 t -108.46 145.33 34.82 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.134 1.373 . . . . 0.0 114.697 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -75.69 0.47 17.61 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 125.455 1.502 . . . . 0.0 114.182 -177.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.93 -19.06 8.03 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 120.243 -1.536 . . . . 0.0 113.593 169.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.441 ' SG ' ' HB3' ' A' ' 15' ' ' CYS . 77.1 m -57.72 -42.38 83.69 Favored 'General case' 0 CA--C 1.55 0.977 0 O-C-N 120.643 -1.286 . . . . 0.0 110.462 161.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.9 m -58.74 -36.1 58.96 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 173.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -64.07 -44.08 93.49 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.868 0.758 . . . . 0.0 110.9 171.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.4 m -56.75 -47.79 79.27 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.686 1.194 . . . . 0.0 110.506 176.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.3 mm -54.41 -55.4 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.361 0.664 . . . . 0.0 110.895 173.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -54.6 -39.98 68.39 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.718 0.807 . . . . 0.0 112.08 -174.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -75.64 -39.6 57.52 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 114.705 1.372 . . . . 0.0 114.705 176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -74.9 -36.16 62.23 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 120.499 1.499 . . . . 0.0 113.488 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 38.7 mm -68.44 -48.43 72.71 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 124.068 0.947 . . . . 0.0 108.858 171.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.52 0.97 1.22 Allowed Glycine 0 CA--C 1.535 1.286 0 C-N-CA 125.774 1.654 . . . . 0.0 115.738 172.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -93.59 -12.24 29.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.291 1.836 . . . . 0.0 113.033 168.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.15 103.37 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 168.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -40.45 -37.09 0.64 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.366 2.266 . . . . 0.0 114.839 -176.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.76 -5.9 61.99 Favored Glycine 0 CA--C 1.533 1.176 0 N-CA-C 116.839 1.496 . . . . 0.0 116.839 -179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.6 m -73.81 132.36 33.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 120.65 2.225 . . . . 0.0 111.596 175.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.7 m170 -109.93 -31.83 7.26 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -175.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 25.7 t60 -156.58 130.56 8.45 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 119.907 1.23 . . . . 0.0 110.779 168.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.89 136.76 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.526 1.53 . . . . 0.0 111.163 179.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -133.62 140.04 46.87 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 126.025 1.73 . . . . 0.0 110.537 174.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -143.06 109.03 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-O 122.274 1.035 . . . . 0.0 111.015 179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 m -93.36 75.64 4.52 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.144 1.378 . . . . 0.0 109.719 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -54.64 -32.61 59.33 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.387 1.625 . . . . 0.0 115.387 -175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -75.95 -20.35 58.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 118.878 0.763 . . . . 0.0 111.346 177.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -106.62 -0.15 23.99 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.8 1.64 . . . . 0.0 113.246 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? 64.63 -12.06 0.12 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 128.765 2.826 . . . . 0.0 115.299 -174.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.8 p30 -88.86 136.28 33.09 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 119.96 -1.712 . . . . 0.0 113.066 -172.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -107.97 128.68 54.86 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 129.157 2.983 . . . . 0.0 108.386 176.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.5 m -126.58 144.4 50.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.677 1.191 . . . . 0.0 108.863 -176.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.6 tt -153.11 144.23 14.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 O-C-N 121.357 -0.839 . . . . 0.0 112.302 -175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.5 mt -103.95 128.99 56.81 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 C-N-CA 124.435 1.094 . . . . 0.0 109.126 161.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -135.12 152.68 51.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.653 1.581 . . . . 0.0 113.247 -175.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -70.53 119.34 71.92 Favored Pre-proline 0 CA--C 1.545 0.778 0 C-N-CA 125.303 1.441 . . . . 0.0 110.13 171.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.9 -11.82 32.57 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 122.701 2.267 . . . . 0.0 113.689 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -79.31 -55.24 5.22 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.554 1.07 . . . . 0.0 111.748 168.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mp -92.36 -3.32 55.52 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -168.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -139.97 164.51 29.81 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 120.619 -1.301 . . . . 0.0 112.289 -176.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 54.1 p -152.06 153.96 31.93 Favored Pre-proline 0 N--CA 1.476 0.83 0 C-N-CA 126.333 1.853 . . . . 0.0 110.678 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -56.01 -34.07 91.27 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.162 2.575 . . . . 0.0 113.05 171.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -56.99 -50.57 72.29 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.832 -0.543 . . . . 0.0 111.314 172.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.5 m -62.49 -26.59 68.61 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.201 1.4 . . . . 0.0 112.705 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 83.9 mt -67.54 -49.8 61.6 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.666 1.121 . . . . 0.0 111.74 167.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -63.84 -42.12 97.68 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.494 -0.754 . . . . 0.0 112.543 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -67.38 -25.31 65.9 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.398 1.079 . . . . 0.0 112.535 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.23 72.32 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 168.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.1 mm -71.25 -32.34 46.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 O-C-N 120.919 -1.113 . . . . 0.0 111.129 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.65 -11.45 60.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.903 1.281 . . . . 0.0 114.223 174.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.77 -29.04 70.0 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 119.256 0.934 . . . . 0.0 111.398 165.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 29.6 mtm -98.48 -154.97 0.48 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 126.489 1.916 . . . . 0.0 111.338 179.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -124.69 57.26 0.68 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 125.759 1.647 . . . . 0.0 111.423 174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -133.72 165.42 24.98 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.795 1.638 . . . . 0.0 110.348 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -122.51 159.57 27.43 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.325 1.45 . . . . 0.0 110.321 176.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -149.19 154.16 38.72 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -168.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 39.6 t -144.02 128.05 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.246 1.418 . . . . 0.0 109.866 -175.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 80.6 mt -71.0 132.25 33.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 121.314 -0.867 . . . . 0.0 110.794 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -144.01 32.53 1.25 Allowed 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -165.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.229 0 C-N-CA 125.416 1.486 . . . . 0.0 114.512 -175.344 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 1.9 tmt? . . . . . 0 N--CA 1.477 0.892 0 CA-C-O 115.923 -1.989 . . . . 0.0 113.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -65.75 145.45 81.07 Favored 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.235 1.957 . . . . 0.0 112.059 -173.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -120.09 139.13 53.03 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.878 1.271 . . . . 0.0 110.409 177.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -149.4 142.74 25.19 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.325 -0.859 . . . . 0.0 112.148 -160.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -116.58 133.74 55.66 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.66 0.784 . . . . 0.0 111.124 -170.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.63 139.11 52.42 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.67 1.188 . . . . 0.0 109.581 -177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 42.2 t -119.27 146.35 45.33 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.169 1.387 . . . . 0.0 112.123 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 13.9 p -158.33 163.53 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.388 2.275 . . . . 0.0 107.682 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -58.5 96.01 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.348 1.059 . . . . 0.0 112.381 171.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 49.5 mtt -107.31 36.84 2.56 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.874 1.27 . . . . 0.0 111.68 166.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 59.6 m -67.1 -40.75 86.98 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 145.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 8.7 t -55.21 104.44 0.12 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.237 2.615 . . . . 0.0 113.013 171.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.27 -33.98 52.34 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.359 0.98 . . . . 0.0 112.816 -177.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.15 -41.53 92.29 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 59.1 m -64.07 -41.96 97.16 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 118.44 1.12 . . . . 0.0 112.486 170.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.84 -25.86 67.78 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -74.33 -59.09 2.89 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.036 0.834 . . . . 0.0 111.844 159.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.95 -28.22 61.96 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.521 1.528 . . . . 0.0 115.12 -167.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 9.7 m -53.13 -30.48 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.331 0.969 . . . . 0.0 112.66 172.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.7 p -62.22 -53.36 56.37 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.202 0.91 . . . . 0.0 111.627 171.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -58.28 -42.74 87.22 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.131 0.972 . . . . 0.0 111.749 175.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.15 -43.63 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.911 1.285 . . . . 0.0 111.818 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 7.6 mp -64.18 -41.31 97.17 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 118.853 0.752 . . . . 0.0 111.312 173.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.73 -11.42 35.98 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 175.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -70.33 -30.6 67.61 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 121.059 1.754 . . . . 0.0 113.163 172.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 91.2 mt -71.24 -58.51 3.47 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 162.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.06 155.57 31.82 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.406 1.479 . . . . 0.0 113.357 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . 64.04 51.43 53.25 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 125.652 1.596 . . . . 0.0 113.802 174.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 22.5 m -125.47 155.27 34.55 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 CA-C-N 119.201 1.5 . . . . 0.0 113.025 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -101.06 132.98 46.24 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.344 1.458 . . . . 0.0 110.717 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -159.64 157.62 30.0 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -139.5 145.06 38.26 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 126.167 1.787 . . . . 0.0 109.894 170.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 52.3 mt -105.62 133.47 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 124.703 1.201 . . . . 0.0 110.841 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -110.2 81.84 1.5 Allowed 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.854 2.062 . . . . 0.0 110.461 178.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -57.62 -42.17 94.24 Favored Pre-proline 0 CA--C 1.553 1.076 0 CA-C-O 117.108 -1.425 . . . . 0.0 114.766 -169.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -63.9 -29.48 67.3 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 122.899 2.399 . . . . 0.0 114.525 177.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -94.59 -13.4 25.99 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.18 0.992 . . . . 0.0 112.749 176.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 85.8 mttt 67.22 30.69 7.06 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 127.357 2.263 . . . . 0.0 113.093 177.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -115.59 158.26 22.93 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 121.166 -0.959 . . . . 0.0 113.164 179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.89 130.35 69.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.719 1.207 . . . . 0.0 109.682 166.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 69.3 m -99.14 86.25 3.4 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 126.698 1.999 . . . . 0.0 109.129 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 52.8 mt -85.11 152.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.233 1.413 . . . . 0.0 110.508 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -135.18 97.99 3.87 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.573 1.549 . . . . 0.0 108.837 169.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 32.9 t -136.17 155.82 49.59 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -83.86 -4.33 58.59 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.374 1.87 . . . . 0.0 113.284 172.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -89.66 158.57 17.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.761 1.224 . . . . 0.0 110.914 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 77.1 p -74.68 153.43 38.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.845 -1.159 . . . . 0.0 114.024 -173.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -34.63 64.41 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.16 -0.962 . . . . 0.0 113.013 173.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -70.4 -28.42 65.06 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.342 1.057 . . . . 0.0 112.747 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 95.6 m -71.99 -49.72 34.76 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.497 1.519 . . . . 0.0 110.898 170.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.87 -46.58 90.04 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.555 0.742 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 39.4 tp -62.69 -43.69 98.16 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.832 0.853 . . . . 0.0 111.837 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.28 -39.45 92.58 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.197 1.362 . . . . 0.0 113.171 177.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -58.48 -41.22 84.8 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.123 1.369 . . . . 0.0 110.983 176.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.49 -49.75 30.86 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.525 1.13 . . . . 0.0 112.603 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -58.32 -33.04 69.06 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 120.808 -1.183 . . . . 0.0 113.458 -178.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -50.55 -28.18 8.09 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.879 1.672 . . . . 0.0 113.94 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 64.0 p -61.48 -23.94 66.24 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.395 1.878 . . . . 0.0 114.664 175.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.15 7.0 74.15 Favored Glycine 0 CA--C 1.532 1.133 0 C-N-CA 126.021 1.772 . . . . 0.0 114.169 -170.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 26.0 mmmt -78.36 159.13 28.54 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.325 1.05 . . . . 0.0 110.809 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 89.8 m -95.04 89.08 5.45 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 126.186 1.795 . . . . 0.0 108.629 -176.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 5.4 t -102.06 148.92 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 125.088 1.355 . . . . 0.0 111.529 -165.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 55.9 m -138.75 141.09 38.87 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.374 0.879 . . . . 0.0 113.374 172.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -89.9 109.97 20.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.718 1.207 . . . . 0.0 110.865 175.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 37.7 mt -96.72 51.27 1.15 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.221 1.009 . . . . 0.0 110.996 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 66.42 -168.25 35.09 Favored Glycine 0 CA--C 1.535 1.305 0 CA-C-O 123.101 1.389 . . . . 0.0 116.345 166.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 65.4 mt -84.02 160.26 21.03 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 126.82 2.048 . . . . 0.0 111.881 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 11.9 tm-20 . . . . . 0 C--O 1.25 1.094 0 C-N-CA 126.227 1.811 . . . . 0.0 112.145 173.843 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.4 ttm . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.43 -21.29 0.83 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 124.534 1.064 . . . . 0.0 113.651 -164.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.5 m -132.23 135.95 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 125.439 1.496 . . . . 0.0 111.914 159.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -137.6 131.64 31.89 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.56 1.944 . . . . 0.0 109.25 169.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 t -95.65 134.95 37.95 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.079 1.351 . . . . 0.0 113.102 -175.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 79.6 t -146.5 149.76 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 125.503 1.521 . . . . 0.0 108.796 173.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.7 m -124.82 144.34 50.34 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.215 1.406 . . . . 0.0 109.723 167.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.8 mt -131.59 125.24 55.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 125.663 1.585 . . . . 0.0 107.689 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.7 m -69.77 125.1 25.72 Favored 'General case' 0 CA--C 1.537 0.454 0 O-C-N 120.649 -1.282 . . . . 0.0 108.51 165.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.8 p -112.9 100.74 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.325 1.85 . . . . 0.0 107.646 -179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.06 -25.77 62.78 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.334 1.854 . . . . 0.0 113.753 -162.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.8 1.75 21.48 Favored Glycine 0 N--CA 1.475 1.24 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -168.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.7 ttp -98.24 129.69 44.97 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.102 1.361 . . . . 0.0 109.878 -178.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.4 p -135.53 -16.17 1.82 Allowed 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 117.091 2.256 . . . . 0.0 117.091 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.4 p -160.36 -168.5 2.19 Favored 'General case' 0 CA--C 1.561 1.396 0 N-CA-C 116.428 2.01 . . . . 0.0 116.428 -166.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -66.33 -42.75 87.75 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.405 1.882 . . . . 0.0 115.341 -155.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 47.4 p -87.46 -16.94 33.35 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.281 1.032 . . . . 0.0 112.596 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -63.49 -61.61 2.22 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.336 1.454 . . . . 0.0 108.872 167.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -57.83 -37.62 61.16 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -173.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 65.2 t90 -53.27 -38.46 63.08 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.514 1.126 . . . . 0.0 112.549 176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -63.35 -41.53 98.85 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.367 1.467 . . . . 0.0 111.59 -173.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.74 -46.13 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 123.403 0.681 . . . . 0.0 110.457 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -62.65 -32.44 73.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.677 0.791 . . . . 0.0 111.937 -178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -71.7 -45.19 62.62 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.751 172.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 tp60 -66.84 -50.79 61.43 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.677 1.126 . . . . 0.0 111.354 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -71.82 -45.63 64.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 119.291 -0.385 . . . . 0.0 110.935 -173.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -60.62 -13.82 33.1 Favored Glycine 0 CA--C 1.532 1.128 0 C-N-CA 123.916 0.77 . . . . 0.0 114.221 174.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -71.68 -27.64 63.18 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 118.942 1.371 . . . . 0.0 113.069 171.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.2 t -77.49 -10.76 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -167.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 75.93 -20.17 0.37 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.669 2.388 . . . . 0.0 114.324 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -90.96 -25.0 25.85 Favored Glycine 0 CA--C 1.528 0.9 0 C-N-CA 124.869 1.223 . . . . 0.0 114.94 -174.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.431 HG21 HG23 ' A' ' 26' ' ' ILE . 93.9 t -67.7 127.43 29.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 CA-C-N 119.221 1.51 . . . . 0.0 111.599 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -87.9 -41.34 13.27 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.421 1.488 . . . . 0.0 111.256 176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -154.06 126.34 7.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.272 1.029 . . . . 0.0 110.266 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.32 133.13 61.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 125.397 1.479 . . . . 0.0 110.094 175.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -131.03 137.11 49.02 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.699 1.6 . . . . 0.0 110.03 168.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.3 m -135.02 125.35 44.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.655 1.182 . . . . 0.0 110.75 175.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.1 m -107.9 97.68 7.36 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.395 1.078 . . . . 0.0 112.151 -165.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pp -62.77 -29.45 70.71 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.337 1.455 . . . . 0.0 114.817 -168.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.91 3.85 39.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.649 1.18 . . . . 0.0 113.243 -178.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -123.09 -9.32 8.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.878 1.271 . . . . 0.0 113.178 177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.6 mttt 57.03 37.7 28.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.131 1.373 . . . . 0.0 113.038 178.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.7 p30 -135.42 158.22 44.92 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 120.254 -1.529 . . . . 0.0 113.518 171.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -126.97 110.53 13.08 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 128.618 2.767 . . . . 0.0 108.111 -173.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 30.5 m -105.13 130.75 53.23 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.017 1.727 . . . . 0.0 108.856 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 19.3 tt -150.55 145.37 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 25.8 mt -123.04 134.5 65.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.916 1.286 . . . . 0.0 109.695 167.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -145.08 155.36 43.28 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.115 1.366 . . . . 0.0 113.747 -177.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -79.66 115.38 53.21 Favored Pre-proline 0 CA--C 1.545 0.781 0 C-N-CA 125.056 1.342 . . . . 0.0 109.744 169.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -68.01 -13.26 37.75 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.872 2.381 . . . . 0.0 113.655 -172.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -70.15 -26.8 64.1 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.674 1.124 . . . . 0.0 113.393 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.9 mt -114.45 -16.02 11.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.832 1.253 . . . . 0.0 113.31 -179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -126.06 160.17 30.83 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.156 1.382 . . . . 0.0 112.947 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.4 p -146.4 154.0 48.63 Favored Pre-proline 0 N--CA 1.473 0.698 0 C-N-CA 125.953 1.701 . . . . 0.0 110.557 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -62.15 -31.57 82.93 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.826 1.684 . . . . 0.0 111.306 173.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.03 -49.17 72.21 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.807 0.843 . . . . 0.0 112.91 168.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.5 m -67.33 -30.12 69.86 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 121.164 -0.96 . . . . 0.0 112.149 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 mp -65.48 -50.34 65.7 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.66 1.184 . . . . 0.0 111.403 171.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -56.71 -47.93 78.83 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 123.463 0.705 . . . . 0.0 111.391 172.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -56.74 -30.41 63.54 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.168 1.387 . . . . 0.0 113.044 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 -30.96 68.85 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 119.078 0.854 . . . . 0.0 113.007 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 11.1 mm -73.45 -36.35 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.259 1.024 . . . . 0.0 111.343 172.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -72.7 -19.0 61.49 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.11 1.364 . . . . 0.0 114.061 171.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.86 -27.66 66.86 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.972 1.309 . . . . 0.0 112.924 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.37 -112.18 0.33 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.647 1.179 . . . . 0.0 110.228 162.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -149.94 56.52 0.47 Allowed Glycine 0 N--CA 1.468 0.817 0 CA-C-N 119.57 1.077 . . . . 0.0 114.302 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -112.77 174.85 5.69 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.665 1.186 . . . . 0.0 110.815 167.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -123.93 150.38 44.8 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.776 1.63 . . . . 0.0 109.705 -177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.61 156.49 35.15 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 56.8 t -145.71 130.56 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 126.549 1.939 . . . . 0.0 109.285 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 81.2 mt -70.31 137.0 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 O-C-N 121.28 -0.887 . . . . 0.0 111.155 -178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -152.21 129.86 11.55 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -171.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 124.66 1.184 . . . . 0.0 112.485 175.516 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 118.08 -0.962 . . . . 0.0 111.993 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -53.57 148.8 33.69 Favored 'Trans proline' 0 C--N 1.353 0.788 1 C-N-CA 125.306 4.004 . . . . 0.0 114.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.04 134.53 47.99 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.149 1.38 . . . . 0.0 111.442 163.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -135.93 165.45 25.62 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.619 1.968 . . . . 0.0 111.575 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -123.59 150.51 44.01 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.254 1.422 . . . . 0.0 111.287 170.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -142.22 143.91 33.12 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.92 1.688 . . . . 0.0 110.218 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 19.9 t -103.23 126.06 50.21 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.182 1.393 . . . . 0.0 111.825 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -122.6 150.74 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 124.854 1.261 . . . . 0.0 111.743 -174.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -84.82 52.08 2.32 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 125.515 1.526 . . . . 0.0 112.023 175.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.06 120.71 33.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.075 1.75 . . . . 0.0 110.942 -171.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 1.6 m -122.43 23.61 9.62 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 125.099 1.359 . . . . 0.0 112.605 -173.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 7.0 t -128.47 174.4 9.39 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 115.111 1.523 . . . . 0.0 115.111 -156.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -106.39 -29.38 4.8 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 126.821 2.153 . . . . 0.0 112.773 160.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.88 -55.7 7.07 Favored Glycine 0 N--CA 1.469 0.889 0 C-N-CA 124.673 1.13 . . . . 0.0 111.25 172.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 4.4 t -62.72 -25.8 68.36 Favored 'General case' 0 CA--C 1.549 0.924 0 O-C-N 121.58 -0.953 . . . . 0.0 112.441 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.22 99.37 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 120.939 -1.101 . . . . 0.0 112.717 171.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -65.79 -33.27 75.48 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.569 0.748 . . . . 0.0 112.071 172.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.8 -53.03 23.95 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 121.664 -0.647 . . . . 0.0 112.217 172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.93 -27.35 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.264 0.938 . . . . 0.0 112.129 -179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 66.6 m -57.89 -51.53 69.25 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.536 -0.727 . . . . 0.0 111.297 166.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 71.2 mtt85 -64.36 -34.29 77.81 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 118.317 -0.849 . . . . 0.0 112.804 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.72 -43.56 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.119 0.968 . . . . 0.0 112.071 174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.79 -41.29 95.32 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 119.676 1.125 . . . . 0.0 111.099 171.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -65.51 -13.21 58.39 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 114.452 1.279 . . . . 0.0 114.452 175.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.98 -35.08 79.52 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.967 1.712 . . . . 0.0 112.055 170.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -69.02 -43.95 73.74 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.452 0.701 . . . . 0.0 110.497 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 146.31 -126.45 2.5 Favored Glycine 0 N--CA 1.469 0.87 0 C-N-CA 123.509 0.576 . . . . 0.0 113.664 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -85.54 111.4 3.55 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.405 1.002 . . . . 0.0 110.921 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 11.3 t -138.86 135.17 42.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 125.004 1.322 . . . . 0.0 110.094 -178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 61.2 mmtt -93.08 127.28 38.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.471 1.508 . . . . 0.0 110.152 173.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -157.45 173.49 16.82 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 115.972 1.841 . . . . 0.0 115.972 -176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -142.72 153.41 43.31 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.473 1.909 . . . . 0.0 110.152 163.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 47.2 mt -119.88 125.35 74.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.787 1.635 . . . . 0.0 109.399 -176.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -116.04 128.56 55.8 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 125.515 1.526 . . . . 0.0 112.766 -174.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 59.9 tp -85.39 -41.33 0.64 Allowed Pre-proline 0 CA--C 1.551 0.981 0 CA-C-O 116.901 -1.523 . . . . 0.0 114.605 -179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -58.36 -36.82 97.19 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.161 2.574 . . . . 0.0 115.172 178.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -111.31 3.58 18.42 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 64.2 mttt 47.76 42.46 15.7 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 126.13 1.772 . . . . 0.0 113.095 179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -111.15 156.5 21.29 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.526 1.13 . . . . 0.0 111.845 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.19 130.71 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 85.5 m -102.87 116.5 32.67 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.337 1.455 . . . . 0.0 107.243 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 63.7 mt -119.26 138.23 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 123.933 0.893 . . . . 0.0 110.864 -171.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -114.46 102.09 9.75 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.599 1.56 . . . . 0.0 109.808 171.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 30.4 t -154.4 145.71 22.95 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.514 -1.366 . . . . 0.0 113.665 -174.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -92.78 3.91 54.77 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.271 1.428 . . . . 0.0 112.335 172.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -74.55 171.81 13.14 Favored 'General case' 0 CA--C 1.553 1.077 0 O-C-N 120.16 -1.587 . . . . 0.0 112.909 174.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 50.2 m -78.76 142.28 37.14 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.523 -1.361 . . . . 0.0 114.019 -173.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.2 ttp -56.71 -45.08 82.09 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.904 1.282 . . . . 0.0 112.716 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.54 -40.8 92.86 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 112.014 178.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 37.3 m -70.96 -45.42 64.14 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.503 1.121 . . . . 0.0 110.936 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 87.2 mt -59.7 -47.58 85.06 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.646 0.778 . . . . 0.0 111.201 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 51.9 tp -63.56 -42.89 98.32 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.16 0.984 . . . . 0.0 112.066 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -65.18 -41.87 94.19 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.384 0.674 . . . . 0.0 111.942 177.057 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 85.6 m -54.83 -45.44 74.45 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.691 1.196 . . . . 0.0 110.427 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 84.8 mt -70.26 -47.64 60.4 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.861 0.864 . . . . 0.0 112.681 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -55.95 -34.96 66.16 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 119.792 1.178 . . . . 0.0 112.242 175.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.7 1.1 1.39 Allowed 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.532 1.678 . . . . 0.0 115.532 173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 12.2 m -62.27 -24.51 67.31 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 119.545 1.066 . . . . 0.0 111.501 157.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 92.39 12.12 58.85 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 127.065 2.269 . . . . 0.0 113.395 -168.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -104.62 162.02 13.63 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 115.194 1.553 . . . . 0.0 115.194 -174.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 56.8 m -67.75 110.4 3.76 Favored 'General case' 0 N--CA 1.461 0.103 0 C-N-CA 126.553 1.941 . . . . 0.0 108.092 164.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 58.2 t -131.51 136.22 57.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.195 1.398 . . . . 0.0 111.139 179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 62.4 m -131.5 145.55 51.81 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.27 1.028 . . . . 0.0 112.511 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -80.6 129.38 34.48 Favored 'General case' 0 CA--C 1.546 0.818 0 O-C-N 121.421 -0.799 . . . . 0.0 112.208 178.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 79.4 mt -94.9 -164.79 1.21 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 127.595 2.358 . . . . 0.0 109.029 171.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . -82.03 166.24 46.29 Favored Glycine 0 CA--C 1.535 1.29 0 O-C-N 119.941 -1.725 . . . . 0.0 116.188 -171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 23.8 tp -70.88 151.6 44.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.346 1.858 . . . . 0.0 110.444 161.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 . . . . . 0 C--O 1.258 1.528 0 C-N-CA 124.569 1.147 . . . . 0.0 113.108 169.305 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 pmm? . . . . . 0 N--CA 1.477 0.877 0 CA-C-O 120.363 0.125 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.09 -154.72 6.22 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 125.104 1.335 . . . . 0.0 112.082 -175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 m -60.11 144.82 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 117.78 0.79 . . . . 0.0 111.534 167.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.7 t-20 -138.14 125.48 21.8 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.863 1.265 . . . . 0.0 109.955 -177.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.9 t -102.63 146.58 27.97 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.779 -1.201 . . . . 0.0 112.133 -175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.97 146.35 19.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.354 0.662 . . . . 0.0 111.049 169.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.7 m -124.49 134.77 52.93 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.281 1.432 . . . . 0.0 109.852 -179.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.9 mt -134.94 124.62 43.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 125.969 1.707 . . . . 0.0 110.017 -167.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.7 m -73.67 69.27 1.28 Allowed 'General case' 0 CA--C 1.542 0.641 0 O-C-N 120.462 -1.398 . . . . 0.0 111.274 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.03 109.59 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.514 1.125 . . . . 0.0 109.44 171.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -73.99 -34.57 64.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.02 1.328 . . . . 0.0 114.36 -172.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.35 39.52 3.11 Favored Glycine 0 N--CA 1.472 1.047 0 CA-C-O 118.77 -1.017 . . . . 0.0 115.604 -163.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.4 mtm -126.21 135.03 51.11 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 119.147 1.473 . . . . 0.0 113.593 179.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -174.84 -22.77 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 127.966 2.506 . . . . 0.0 113.595 177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.6 p -82.14 -158.68 0.26 Allowed 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 125.279 1.432 . . . . 0.0 114.043 177.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -94.96 -22.1 18.18 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 126.032 1.733 . . . . 0.0 114.915 178.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -127.37 -17.26 4.73 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -166.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.7 m -61.19 -43.22 99.23 Favored 'General case' 0 CA--C 1.563 1.451 0 O-C-N 119.499 -2.001 . . . . 0.0 109.812 168.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -61.96 -31.31 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.244 1.418 . . . . 0.0 114.793 168.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.7 t90 -70.38 -41.29 73.26 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 121.324 -0.86 . . . . 0.0 110.831 174.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.9 m -54.67 -44.55 73.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 125.554 1.542 . . . . 0.0 110.749 176.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 37.8 mm -58.68 -47.62 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.991 0.814 . . . . 0.0 112.147 175.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -60.8 -41.57 95.93 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.013 0.824 . . . . 0.0 111.054 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -67.94 -33.27 74.36 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.746 1.218 . . . . 0.0 112.374 177.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -72.77 -51.98 16.85 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 119.508 1.049 . . . . 0.0 113.211 173.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.52 -46.5 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 C-N-CA 124.089 0.956 . . . . 0.0 110.601 -169.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -62.45 -5.44 8.51 Favored Glycine 0 CA--C 1.534 1.278 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 -174.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.2 -16.77 30.54 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.052 1.741 . . . . 0.0 113.834 169.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -84.9 100.3 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 119.226 0.921 . . . . 0.0 108.535 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -33.2 -40.87 0.07 Allowed 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.841 2.456 . . . . 0.0 115.72 -177.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -84.96 0.65 89.11 Favored Glycine 0 CA--C 1.532 1.127 0 CA-C-O 117.866 -1.519 . . . . 0.0 116.37 -177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.21 133.22 29.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 CA-C-N 121.027 2.414 . . . . 0.0 110.659 173.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -108.02 -31.01 8.13 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -175.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -155.71 130.61 9.25 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 120.15 1.341 . . . . 0.0 111.985 170.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.91 129.85 59.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.329 1.452 . . . . 0.0 112.962 172.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -128.08 134.38 49.16 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.57 1.548 . . . . 0.0 110.139 165.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.9 m -123.04 137.34 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.472 1.109 . . . . 0.0 109.097 169.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.8 m -123.82 77.4 1.52 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.418 1.087 . . . . 0.0 109.951 -165.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.44 -27.86 67.84 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.603 1.161 . . . . 0.0 113.694 -176.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -68.21 -21.5 64.85 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.658 0.783 . . . . 0.0 111.155 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -122.31 -4.24 8.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.563 1.545 . . . . 0.0 113.373 -174.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt 52.12 54.75 10.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.811 2.044 . . . . 0.0 113.24 -177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -147.9 174.21 12.09 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.858 1.263 . . . . 0.0 112.648 169.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -140.45 132.45 27.8 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.202 2.201 . . . . 0.0 109.143 -173.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 85.1 m -124.11 130.3 52.31 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.698 1.199 . . . . 0.0 109.092 179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 8.3 tt -141.0 142.11 30.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 123.485 0.714 . . . . 0.0 111.324 -176.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 44.6 mt -107.31 131.86 56.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 124.498 1.119 . . . . 0.0 109.369 168.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -134.15 162.04 33.21 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.587 1.955 . . . . 0.0 112.352 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -96.12 115.55 65.65 Favored Pre-proline 0 CA--C 1.544 0.738 0 C-N-CA 126.556 1.943 . . . . 0.0 109.863 173.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.76 -16.97 51.78 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.114 2.543 . . . . 0.0 113.38 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.4 mtpt -57.59 -26.21 61.16 Favored 'General case' 0 N--CA 1.478 0.926 0 CA-C-N 119.966 1.257 . . . . 0.0 114.15 176.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.41 25.69 0.87 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.578 1.551 . . . . 0.0 113.914 -178.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.05 154.04 28.89 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -174.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.1 p -146.63 157.71 47.49 Favored Pre-proline 0 N--CA 1.477 0.888 0 C-N-CA 127.144 2.178 . . . . 0.0 111.648 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.54 -28.53 86.81 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 124.12 3.213 . . . . 0.0 113.293 170.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -57.14 -42.03 80.19 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.217 0.607 . . . . 0.0 112.552 177.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 55.8 m -54.07 -43.12 70.01 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 124.504 1.122 . . . . 0.0 111.951 172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.33 -45.13 63.71 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.451 1.1 . . . . 0.0 111.03 -177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -58.33 -51.88 67.93 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.761 0.825 . . . . 0.0 111.801 172.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -74.12 -6.9 50.37 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 -176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.44 -38.79 71.33 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.109 0.964 . . . . 0.0 112.453 162.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 18.4 mm -66.56 -22.94 30.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 121.269 -0.895 . . . . 0.0 111.229 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -66.61 -25.1 66.45 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.994 2.118 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 77.7 m-20 -68.85 -28.98 67.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.842 0.857 . . . . 0.0 113.051 -176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -94.31 -138.13 0.21 Allowed 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.27 1.428 . . . . 0.0 109.566 170.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -136.93 59.53 0.63 Allowed Glycine 0 N--CA 1.468 0.821 0 C-N-CA 124.933 1.254 . . . . 0.0 111.762 171.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -121.29 166.02 14.64 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.187 1.395 . . . . 0.0 110.959 178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -122.52 146.45 47.39 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.532 1.533 . . . . 0.0 111.223 -178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -156.02 144.26 19.93 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -173.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.9 t -140.72 140.38 33.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 126.998 2.119 . . . . 0.0 107.853 178.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 94.2 mt -72.59 138.3 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-O 121.927 0.87 . . . . 0.0 110.858 178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -139.36 28.45 2.25 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.8 0.84 . . . . 0.0 112.484 -170.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 124.376 1.071 . . . . 0.0 111.376 167.032 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.475 0.812 0 CA-C-O 116.217 -1.849 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -85.81 168.82 9.39 Favored 'Trans proline' 0 C--N 1.352 0.761 0 CA-C-N 122.49 1.925 . . . . 0.0 113.322 -165.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -120.82 148.69 43.67 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.508 1.523 . . . . 0.0 111.143 -176.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.37 162.88 34.42 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 120.647 -1.283 . . . . 0.0 112.165 -177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -131.11 143.76 50.9 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 123.907 0.883 . . . . 0.0 110.059 -176.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -130.2 123.97 31.46 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 124.846 1.258 . . . . 0.0 108.847 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 56.0 m -83.78 140.23 32.2 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.766 0.826 . . . . 0.0 110.314 171.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 1.5 m -153.27 143.31 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.891 1.677 . . . . 0.0 108.142 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -68.1 2.92 1.83 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 7.2 tmm? -58.46 135.39 57.25 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.08 2.152 . . . . 0.0 111.446 168.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 6.1 t -163.25 -30.72 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.584 2.354 . . . . 0.0 110.163 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 29.5 p -64.7 141.08 58.9 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 122.496 1.141 . . . . 0.0 112.854 164.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.23 -25.72 65.54 Favored Glycine 0 N--CA 1.472 1.07 0 N-CA-C 115.497 0.959 . . . . 0.0 115.497 -164.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.11 -37.51 63.85 Favored Glycine 0 CA--C 1.528 0.873 0 CA-C-N 118.126 0.963 . . . . 0.0 111.412 171.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 34.8 t -64.39 -32.16 73.67 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 121.715 -0.874 . . . . 0.0 112.732 172.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.42 90.76 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 121.162 -0.961 . . . . 0.0 112.423 170.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -59.13 -40.69 86.22 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.371 0.532 . . . . 0.0 110.881 170.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.2 -52.92 62.76 Favored 'General case' 0 CA--C 1.535 0.366 0 O-C-N 121.5 -0.75 . . . . 0.0 112.397 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 8.4 p -67.07 -29.35 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 CA-C-N 118.527 0.603 . . . . 0.0 111.988 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 30.9 t -61.06 -53.78 52.89 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.333 0.97 . . . . 0.0 111.26 166.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -61.82 -28.39 69.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.827 1.251 . . . . 0.0 113.55 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 39.8 t -70.97 -50.85 39.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 C-N-CA 124.905 1.282 . . . . 0.0 111.566 170.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 60.3 mt -62.52 -34.87 77.75 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.953 0.797 . . . . 0.0 112.29 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 17.6 t-20 -55.38 -24.2 28.59 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.889 1.276 . . . . 0.0 113.881 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -70.09 -19.73 63.24 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 120.413 -1.43 . . . . 0.0 114.093 173.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 95.7 mt -74.1 -30.77 62.5 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.432 1.015 . . . . 0.0 112.474 166.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 87.03 -89.89 1.65 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 124.479 1.038 . . . . 0.0 112.855 174.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -78.72 49.62 3.44 Favored Glycine 0 N--CA 1.476 1.313 0 C-N-CA 125.668 1.604 . . . . 0.0 113.979 -169.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -117.96 135.11 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.678 1.591 . . . . 0.0 111.917 -173.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -92.02 129.11 38.05 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 126.075 1.75 . . . . 0.0 110.218 171.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 55.6 p90 -156.7 164.59 37.97 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -152.11 132.79 13.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.361 1.464 . . . . 0.0 110.735 168.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 5.1 mm -86.85 134.36 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 C-N-CA 125.339 1.455 . . . . 0.0 111.423 -176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -119.27 97.42 5.66 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.5 1.52 . . . . 0.0 110.429 178.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 10.3 mp -67.57 -48.41 44.02 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-O 117.287 -1.339 . . . . 0.0 112.501 -171.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -73.77 -36.38 3.71 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 122.213 1.942 . . . . 0.0 113.333 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -78.93 1.32 24.05 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 175.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 12.2 tptm 67.65 36.1 3.8 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 124.209 1.003 . . . . 0.0 111.152 162.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 pttt -149.14 170.26 18.83 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.291 -1.505 . . . . 0.0 113.798 -166.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 28.1 m -121.2 145.38 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 124.337 1.055 . . . . 0.0 109.046 157.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.12 142.32 31.76 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 162.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.23 152.92 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.718 1.207 . . . . 0.0 108.882 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -134.42 67.38 1.51 Allowed 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.518 1.127 . . . . 0.0 109.292 171.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -108.51 143.49 37.42 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.909 -1.12 . . . . 0.0 112.668 -177.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -82.08 2.81 29.47 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.95 1.3 . . . . 0.0 113.804 173.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -78.01 168.66 19.53 Favored 'General case' 0 CA--C 1.548 0.879 0 O-C-N 120.89 -1.131 . . . . 0.0 113.397 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.5 t -70.88 144.55 50.64 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 124.491 1.116 . . . . 0.0 111.999 175.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 57.9 ttp -53.93 -34.05 58.5 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.602 1.161 . . . . 0.0 111.601 169.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -68.0 -37.03 80.97 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.868 0.758 . . . . 0.0 112.104 178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 23.8 m -69.59 -42.45 74.44 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 124.922 1.289 . . . . 0.0 110.751 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.78 -52.16 61.56 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.865 1.266 . . . . 0.0 110.599 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.37 -42.59 92.56 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.534 0.733 . . . . 0.0 112.499 178.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -59.27 -36.28 75.23 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 119.851 1.205 . . . . 0.0 112.557 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 87.4 m -71.43 -52.03 20.72 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.244 1.017 . . . . 0.0 111.166 174.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 mt -60.25 -39.08 85.51 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.896 0.878 . . . . 0.0 113.153 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.73 -29.16 62.22 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -61.57 -23.68 66.15 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 120.449 -1.407 . . . . 0.0 113.585 177.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.66 -13.45 54.04 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.86 1.664 . . . . 0.0 113.338 172.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 71.43 59.72 4.76 Favored Glycine 0 C--N 1.34 0.803 0 C-N-CA 124.781 1.181 . . . . 0.0 111.589 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 41.4 mmtm -145.84 147.99 32.4 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.259 1.424 . . . . 0.0 111.665 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 42.4 m -71.63 98.32 1.88 Allowed 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.895 1.278 . . . . 0.0 108.619 169.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -101.38 139.88 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 125.063 1.345 . . . . 0.0 111.999 -173.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 22.6 t -139.53 136.17 34.22 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.379 1.072 . . . . 0.0 112.143 177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -75.87 116.4 16.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.381 1.073 . . . . 0.0 110.974 170.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -104.64 53.12 0.74 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.807 1.243 . . . . 0.0 110.525 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 79.95 177.77 50.97 Favored Glycine 0 CA--C 1.532 1.102 0 CA-C-O 123.004 1.336 . . . . 0.0 116.372 163.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 5.9 tp -102.07 133.26 47.19 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.837 2.055 . . . . 0.0 109.242 173.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 . . . . . 0 C--O 1.251 1.172 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -169.322 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.598 -0.149 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -97.37 -176.5 34.39 Favored Glycine 0 N--CA 1.47 0.942 0 N-CA-C 116.091 1.196 . . . . 0.0 116.091 -155.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -121.35 166.02 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.035 0 C-N-CA 126.765 2.026 . . . . 0.0 110.679 171.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -151.72 166.67 30.59 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.419 0.688 . . . . 0.0 112.069 168.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.4 p -151.88 158.65 43.5 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 120.585 -1.322 . . . . 0.0 113.675 -162.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 9.1 p -156.15 156.56 4.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 123.672 0.789 . . . . 0.0 112.149 178.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -119.4 136.9 54.08 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.333 1.453 . . . . 0.0 110.674 173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.8 mt -134.42 125.79 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 125.531 1.532 . . . . 0.0 109.011 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 t -69.42 104.39 2.28 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 120.374 -1.454 . . . . 0.0 107.304 162.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.6 t -92.14 81.61 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 105.912 -1.885 . . . . 0.0 105.912 173.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -46.84 -36.06 7.02 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.761 2.025 . . . . 0.0 113.148 -177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.08 12.54 67.39 Favored Glycine 0 CA--C 1.535 1.306 0 CA-C-O 117.836 -1.536 . . . . 0.0 115.484 -178.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -123.47 126.17 46.24 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.618 1.709 . . . . 0.0 111.188 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 t -167.02 -21.51 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 N-CA-C 116.984 2.216 . . . . 0.0 116.984 -176.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 26.7 p -102.52 -88.44 0.39 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 -161.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -142.92 -82.8 0.18 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.797 1.239 . . . . 0.0 113.607 -163.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -97.49 -19.71 18.22 Favored 'General case' 0 N--CA 1.479 1.009 0 CA-C-N 120.497 1.499 . . . . 0.0 113.547 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.7 p -49.24 -54.69 15.51 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.454 1.901 . . . . 0.0 111.624 159.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -41.09 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 C-N-CA 123.495 0.718 . . . . 0.0 111.891 176.377 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 72.5 t90 -64.6 -33.47 76.0 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.199 1.0 . . . . 0.0 112.653 176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 41.3 m -56.46 -37.46 70.32 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.437 1.095 . . . . 0.0 111.147 175.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.5 mm -56.63 -56.32 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 CA-C-N 118.464 0.575 . . . . 0.0 110.497 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -59.37 -31.89 69.63 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.047 0.939 . . . . 0.0 112.351 -178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -70.54 -48.07 57.3 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 123.897 0.879 . . . . 0.0 113.28 174.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -72.99 -39.82 65.77 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.745 1.157 . . . . 0.0 112.951 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 31.4 mm -70.07 -48.08 64.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.653 1.181 . . . . 0.0 110.46 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -55.03 -11.0 2.77 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.629 1.109 . . . . 0.0 115.757 174.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -111.07 5.27 20.06 Favored 'General case' 0 CA--C 1.551 0.984 0 CA-C-N 119.294 1.547 . . . . 0.0 114.532 176.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.5 t -60.27 -59.41 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 CA-C-N 120.229 1.377 . . . . 0.0 113.856 -176.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.5 p30 158.96 -37.71 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 129.945 3.298 . . . . 0.0 113.043 174.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -124.2 2.94 9.03 Favored Glycine 0 CA--C 1.527 0.81 0 CA-C-O 117.718 -1.601 . . . . 0.0 115.789 -171.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.5 132.86 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 CA-C-N 121.156 2.478 . . . . 0.0 110.898 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -97.34 -44.63 6.8 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 122.978 0.511 . . . . 0.0 111.022 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -155.97 133.46 10.94 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.775 0.83 . . . . 0.0 111.782 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -117.73 128.62 74.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 125.735 1.614 . . . . 0.0 111.815 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -124.73 138.07 54.31 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.629 1.172 . . . . 0.0 110.886 166.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.3 m -128.01 106.55 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.373 1.469 . . . . 0.0 109.429 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.1 m -83.77 71.98 10.39 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 125.008 1.323 . . . . 0.0 110.09 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.96 -26.4 25.47 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 126.431 1.893 . . . . 0.0 114.992 -172.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -76.76 -23.45 52.96 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 113.088 0.773 . . . . 0.0 113.088 175.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -105.23 -15.61 15.01 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.629 1.572 . . . . 0.0 113.426 177.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.6 mtmt 68.64 6.54 5.53 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 128.836 2.854 . . . . 0.0 114.652 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -90.66 149.13 22.2 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.046 -1.659 . . . . 0.0 112.01 171.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -122.74 132.07 54.07 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 128.019 2.528 . . . . 0.0 109.12 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.261 1.424 . . . . 0.0 108.831 -178.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.8 tt -153.94 140.75 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 N-CA-C 113.325 0.861 . . . . 0.0 113.325 -171.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 mt -105.46 130.91 56.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.902 1.281 . . . . 0.0 109.872 164.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.35 158.49 38.1 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.211 2.204 . . . . 0.0 112.41 177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -71.06 119.13 71.57 Favored Pre-proline 0 CA--C 1.548 0.884 0 C-N-CA 124.102 0.961 . . . . 0.0 110.799 173.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -70.9 -19.71 30.35 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.315 2.677 . . . . 0.0 112.979 -175.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 32.8 mtmm -70.06 -30.97 68.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.368 0.985 . . . . 0.0 112.43 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.34 -51.96 3.98 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.722 0.809 . . . . 0.0 112.396 -177.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -113.95 166.42 11.61 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -160.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 42.1 p -139.54 170.25 10.38 Favored Pre-proline 0 N--CA 1.473 0.692 0 C-N-CA 128.217 2.607 . . . . 0.0 108.35 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -54.0 -33.03 71.14 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.804 2.336 . . . . 0.0 112.915 173.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -51.6 -44.8 62.97 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.722 0.809 . . . . 0.0 112.888 170.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m -58.6 -43.34 89.51 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.873 0.869 . . . . 0.0 110.815 175.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.27 -37.42 74.86 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.798 0.839 . . . . 0.0 112.489 -179.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -65.26 -44.38 88.26 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.181 0.992 . . . . 0.0 111.906 171.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -70.67 -28.2 64.6 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.437 1.095 . . . . 0.0 113.219 -177.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -60.1 -25.2 65.26 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 121.336 -0.853 . . . . 0.0 113.092 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 13.2 mm -71.98 -24.58 22.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.201 1.4 . . . . 0.0 112.578 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -72.78 -9.18 58.35 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 -175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.64 -35.7 80.81 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.445 1.098 . . . . 0.0 113.187 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -121.03 0.14 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.118 1.367 . . . . 0.0 111.179 178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.21 62.5 0.34 Allowed Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.401 1.477 . . . . 0.0 111.875 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -129.42 171.27 12.7 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.903 1.281 . . . . 0.0 111.481 -179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -127.16 145.99 50.56 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.983 1.313 . . . . 0.0 110.439 -170.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -155.73 145.13 20.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.051 0.94 . . . . 0.0 112.802 -172.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.2 t -139.61 133.52 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 125.844 1.658 . . . . 0.0 108.691 -174.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.2 mm -66.7 138.34 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.331 -0.855 . . . . 0.0 111.914 -179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -150.33 38.58 0.72 Allowed 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 123.986 0.914 . . . . 0.0 113.269 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.255 1.357 0 C-N-CA 125.865 1.666 . . . . 0.0 113.942 176.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 23.2 ptp . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_endo -81.21 170.5 14.86 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.339 2.693 . . . . 0.0 112.746 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -121.21 148.69 43.92 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.318 1.847 . . . . 0.0 111.687 176.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -155.08 164.28 39.09 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 124.74 1.216 . . . . 0.0 112.472 -170.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -130.13 139.04 50.95 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.93 1.292 . . . . 0.0 111.706 -172.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -133.55 127.69 33.69 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.139 1.376 . . . . 0.0 110.621 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 22.6 t -103.66 142.02 35.04 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.526 1.53 . . . . 0.0 110.844 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 2.3 m -153.83 151.94 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 121.1 -1.0 . . . . 0.0 112.712 -159.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -76.65 41.01 0.25 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.268 2.227 . . . . 0.0 113.436 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 22.8 mmt -81.76 107.99 14.94 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.622 1.169 . . . . 0.0 110.062 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 31.5 m -86.53 -50.75 6.62 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.075 0.95 . . . . 0.0 112.215 -173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.8 p -101.89 -169.84 1.74 Allowed 'General case' 0 CA--C 1.561 1.394 0 C-N-CA 125.981 1.712 . . . . 0.0 113.996 -179.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -85.91 -19.89 56.81 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.958 1.266 . . . . 0.0 113.598 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.84 -48.72 26.29 Favored Glycine 0 N--CA 1.465 0.583 0 C-N-CA 126.113 1.816 . . . . 0.0 111.951 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 27.3 p -61.74 -29.99 70.48 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 121.78 -0.835 . . . . 0.0 112.853 170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.16 -44.06 96.54 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.455 -0.778 . . . . 0.0 112.242 170.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -60.68 -41.72 95.67 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.157 0.89 . . . . 0.0 111.362 169.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.19 91.13 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.077 0.853 . . . . 0.0 112.998 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 p -70.38 -24.7 25.96 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-N 119.149 0.886 . . . . 0.0 112.621 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 2.7 p -63.85 -46.9 82.95 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.639 -1.288 . . . . 0.0 110.933 165.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -69.57 -31.39 69.53 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 125.262 1.425 . . . . 0.0 112.682 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.95 -37.39 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.301 0.955 . . . . 0.0 111.913 174.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.2 -35.58 76.37 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.239 0.927 . . . . 0.0 111.453 174.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -60.41 -16.54 36.8 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 173.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -64.87 -34.22 77.86 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.533 -1.354 . . . . 0.0 112.891 170.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 92.4 mt -73.39 -54.32 8.61 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.798 0.839 . . . . 0.0 109.592 163.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -37.74 2.96 Favored Glycine 0 N--CA 1.472 1.042 0 C-N-CA 125.125 1.345 . . . . 0.0 113.6 175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -74.62 56.21 2.52 Favored Glycine 0 N--CA 1.472 1.043 0 C-N-CA 125.448 1.499 . . . . 0.0 112.783 175.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 7.4 t -141.39 144.09 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 125.104 1.362 . . . . 0.0 110.299 -168.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -114.3 138.53 50.39 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 126.452 1.901 . . . . 0.0 109.349 161.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 39.1 p90 -155.63 164.38 38.69 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 177.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -147.44 133.64 19.43 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.417 1.087 . . . . 0.0 110.884 170.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 37.0 mt -100.77 127.97 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.884 0.874 . . . . 0.0 108.847 -178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -81.39 116.42 21.2 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 121.762 -0.586 . . . . 0.0 110.311 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -49.67 -51.77 56.68 Favored Pre-proline 0 CA--C 1.551 0.997 0 N-CA-C 115.494 1.664 . . . . 0.0 115.494 -168.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.48 -23.84 2.64 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.588 2.192 . . . . 0.0 113.763 -174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -98.4 -30.0 12.81 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 124.806 1.242 . . . . 0.0 112.375 -176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . 0.257 60.9 mttp 58.59 17.87 5.35 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 129.26 3.024 . . . . 0.0 115.014 -177.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 56.2 pttt -63.39 151.93 39.57 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.652 -0.655 . . . . 0.0 110.863 163.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 17.2 t -111.91 119.44 60.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 124.322 1.049 . . . . 0.0 108.472 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 65.7 m -104.96 115.22 29.91 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.293 1.437 . . . . 0.0 108.736 -176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 55.2 mt -121.28 147.8 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 CA-C-N 119.979 1.263 . . . . 0.0 111.414 -165.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -133.44 106.23 7.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.193 1.797 . . . . 0.0 109.411 168.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 43.6 t -146.84 151.86 37.79 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.04 -1.663 . . . . 0.0 113.609 -178.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -80.61 -7.72 59.36 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 114.344 1.238 . . . . 0.0 114.344 171.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -75.6 156.54 34.84 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.202 1.001 . . . . 0.0 112.035 171.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 27.3 p -79.51 154.06 29.12 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.601 -1.312 . . . . 0.0 114.243 -170.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -38.81 69.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.211 1.004 . . . . 0.0 113.622 178.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -63.75 -38.72 92.17 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.798 1.239 . . . . 0.0 111.875 175.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 30.6 m -71.05 -45.89 63.0 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.902 1.281 . . . . 0.0 110.659 179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 86.2 mt -61.52 -49.13 77.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.348 1.059 . . . . 0.0 110.657 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.7 tp -60.03 -45.56 92.42 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.163 0.985 . . . . 0.0 111.944 178.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.67 -36.95 82.32 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.923 0.783 . . . . 0.0 112.759 176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 88.6 m -71.61 -40.0 70.1 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.663 1.585 . . . . 0.0 111.932 178.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.48 -48.51 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.727 0.811 . . . . 0.0 111.346 173.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -64.38 -32.37 73.96 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.68 1.192 . . . . 0.0 113.443 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -66.34 -4.3 7.72 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 115.038 1.496 . . . . 0.0 115.038 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 75.0 p -67.77 -4.38 12.27 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 164.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.32 59.81 1.99 Allowed Glycine 0 C--N 1.338 0.68 0 C-N-CA 124.946 1.26 . . . . 0.0 109.957 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.02 149.49 40.07 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -165.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 87.6 m -79.6 112.0 16.43 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 106.354 -1.721 . . . . 0.0 106.354 150.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 45.9 t -100.85 130.14 50.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.451 1.101 . . . . 0.0 108.888 174.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 37.7 m -115.11 108.84 17.18 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.869 0.868 . . . . 0.0 110.319 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.74 123.38 30.34 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.311 1.044 . . . . 0.0 111.709 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 89.6 mt -116.14 54.64 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.048 1.339 . . . . 0.0 111.646 -173.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 78.98 157.17 10.76 Favored Glycine 0 CA--C 1.534 1.221 0 N-CA-C 116.517 1.367 . . . . 0.0 116.517 160.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 13.7 tp -90.27 120.55 31.51 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.806 1.642 . . . . 0.0 109.103 172.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.187 1.395 . . . . 0.0 114.302 -166.456 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 119.229 -0.415 . . . . 0.0 110.361 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 135.7 -161.78 24.83 Favored Glycine 0 N--CA 1.471 1.0 0 C-N-CA 124.314 0.959 . . . . 0.0 113.357 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.9 m -82.26 128.59 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.43 0.692 . . . . 0.0 111.412 175.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -100.79 149.49 23.78 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.198 0.999 . . . . 0.0 109.138 163.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -133.09 144.34 49.91 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 121.047 -1.033 . . . . 0.0 111.332 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.6 p -155.23 146.59 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 O-C-N 121.341 -0.849 . . . . 0.0 112.181 178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 79.9 m -112.57 133.54 54.57 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 122.418 1.104 . . . . 0.0 111.394 167.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.7 mt -117.46 131.54 69.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 127.063 2.145 . . . . 0.0 107.765 175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 m -78.26 108.01 11.28 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 107.294 -1.373 . . . . 0.0 107.294 165.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.1 76.23 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 178.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -49.87 -23.0 1.67 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.874 2.47 . . . . 0.0 115.364 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.11 -5.22 70.7 Favored Glycine 0 CA--C 1.535 1.318 0 CA-C-N 119.655 1.116 . . . . 0.0 115.037 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -116.67 132.45 56.68 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.034 1.417 . . . . 0.0 111.546 -172.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.262 4.5 t -161.04 18.62 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 125.785 1.634 . . . . 0.0 113.839 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 8.8 p -150.46 -176.39 5.47 Favored 'General case' 0 CA--C 1.565 1.521 0 N-CA-C 117.227 2.306 . . . . 0.0 117.227 -178.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -75.9 -45.85 33.18 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.924 2.089 . . . . 0.0 116.123 -151.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.3 m -82.39 -16.8 47.76 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 120.425 -1.422 . . . . 0.0 112.078 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.1 m -70.26 -48.98 54.41 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.421 1.488 . . . . 0.0 110.17 175.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.5 m -58.92 -36.96 64.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.315 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 172.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -61.71 -45.13 95.3 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.695 0.798 . . . . 0.0 111.522 173.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.8 m -55.35 -48.31 74.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.812 1.245 . . . . 0.0 111.073 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.4 mm -59.78 -45.03 95.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 CA-C-N 118.764 0.711 . . . . 0.0 111.366 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -68.7 -33.47 74.0 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 119.091 0.86 . . . . 0.0 112.239 -179.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 91.1 mm-40 -65.78 -45.44 82.44 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 118.196 -0.907 . . . . 0.0 112.274 172.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -68.17 -58.83 3.82 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.147 0.885 . . . . 0.0 111.683 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.5 mm -69.23 -42.2 81.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 C-N-CA 124.206 1.002 . . . . 0.0 110.339 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.3 -5.87 6.86 Favored Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.916 -0.935 . . . . 0.0 114.227 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -114.72 1.32 14.13 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.025 1.412 . . . . 0.0 113.553 169.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.9 104.86 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 161.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -61.48 -17.36 54.24 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 116.708 2.114 . . . . 0.0 116.708 -156.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.62 -30.59 66.21 Favored Glycine 0 CA--C 1.532 1.153 0 CA-C-O 119.131 -0.816 . . . . 0.0 113.881 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.3 p -50.88 132.23 11.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.808 1.243 . . . . 0.0 112.957 -176.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -99.83 -34.91 9.96 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.942 1.297 . . . . 0.0 111.81 172.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -158.16 143.2 16.52 Favored 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 125.405 1.482 . . . . 0.0 111.743 166.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -119.18 137.43 53.14 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 125.206 1.403 . . . . 0.0 111.951 170.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 60.2 tttp -130.38 143.95 51.08 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.292 1.437 . . . . 0.0 111.277 165.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.65 130.53 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 124.623 1.169 . . . . 0.0 110.158 171.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 m -115.67 89.0 3.0 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.115 1.366 . . . . 0.0 110.555 -171.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.11 -29.04 68.35 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 -170.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.94 -12.85 52.44 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.726 1.21 . . . . 0.0 112.966 179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.03 -4.72 14.41 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.228 1.411 . . . . 0.0 112.459 174.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 mttt 56.6 20.21 4.8 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 128.464 2.706 . . . . 0.0 113.6 -176.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -99.93 156.57 17.07 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.448 -1.408 . . . . 0.0 112.121 -178.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -132.62 114.94 14.81 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.166 2.187 . . . . 0.0 107.862 175.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 87.8 m -120.4 129.63 54.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.529 1.131 . . . . 0.0 109.183 -175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 tt -144.09 140.52 24.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 123.572 0.749 . . . . 0.0 111.263 -167.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.6 mt -109.72 131.91 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 C-N-CA 125.494 1.518 . . . . 0.0 108.621 168.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -146.48 148.95 32.76 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.581 1.552 . . . . 0.0 112.89 -170.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -80.51 126.73 77.85 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.052 0.941 . . . . 0.0 110.003 168.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_endo -73.86 -20.09 20.14 Favored 'Trans proline' 0 CA--C 1.535 0.562 0 C-N-CA 123.164 2.576 . . . . 0.0 113.616 -168.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 39.1 mtmt -69.67 -21.4 63.52 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 -175.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 mp -113.44 -15.71 12.56 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.641 1.976 . . . . 0.0 113.845 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -164.46 144.86 7.86 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 119.364 0.984 . . . . 0.0 110.683 -157.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 65.9 p -140.44 164.86 34.14 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 124.288 1.035 . . . . 0.0 111.738 -171.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -51.49 -37.95 63.15 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.243 2.629 . . . . 0.0 112.736 166.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -58.51 -46.91 85.76 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.654 -0.654 . . . . 0.0 112.116 172.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.6 m -54.74 -40.04 68.9 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 125.058 1.343 . . . . 0.0 111.345 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -37.45 73.15 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 124.99 1.316 . . . . 0.0 112.351 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.61 -47.9 74.1 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.443 1.02 . . . . 0.0 111.238 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.83 -33.89 74.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.397 1.079 . . . . 0.0 112.853 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.69 65.46 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.4 mm -70.47 -34.25 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 123.945 0.898 . . . . 0.0 111.933 177.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.57 -7.29 49.39 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -175.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -63.18 -29.21 70.6 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.322 -0.861 . . . . 0.0 111.99 165.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -98.74 -178.43 3.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.579 1.551 . . . . 0.0 110.949 172.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -96.1 59.8 1.4 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.759 1.171 . . . . 0.0 111.667 167.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -125.9 176.31 7.06 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.632 1.573 . . . . 0.0 111.261 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -143.54 154.36 43.53 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.736 1.614 . . . . 0.0 109.931 -171.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -157.35 163.8 38.25 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.43 1.092 . . . . 0.0 113.652 -170.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 t -147.82 135.43 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 125.682 1.593 . . . . 0.0 109.627 172.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 97.7 mt -69.93 131.81 33.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.23 -0.919 . . . . 0.0 110.386 175.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -120.01 -29.69 4.87 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.451 1.1 . . . . 0.0 113.381 -170.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 . . . . . 0 N--CA 1.483 1.223 0 C-N-CA 130.322 3.449 . . . . 0.0 112.422 173.158 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . 0.269 14.1 tpt . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 116.368 -1.777 . . . . 0.0 112.247 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.64 141.22 17.27 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.366 2.044 . . . . 0.0 112.659 -179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.47 122.66 22.5 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.944 0.898 . . . . 0.0 112.644 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -111.15 148.98 31.57 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.169 1.788 . . . . 0.0 110.88 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.51 127.56 53.73 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.381 1.472 . . . . 0.0 109.786 170.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -129.89 148.77 51.79 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.066 1.346 . . . . 0.0 109.968 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' SER . . . . . . . . . . . . . 48.9 m -132.0 154.58 49.2 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' VAL . . . . . . . . . . . . . 15.5 m -142.65 178.65 2.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 126.297 1.839 . . . . 0.0 111.434 -165.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -78.89 -10.06 59.69 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 115.449 1.648 . . . . 0.0 115.449 -172.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -91.7 138.2 31.75 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 115.184 1.55 . . . . 0.0 115.184 -162.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' THR . . . . . . . . . . . . . 7.7 m -116.46 35.96 4.33 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 125.691 1.597 . . . . 0.0 109.616 169.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 t -141.19 136.61 31.95 Favored 'General case' 0 CA--C 1.554 1.122 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 -156.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' GLY . . . . . . . . . . . . . . . -77.53 -20.67 74.02 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.665 1.603 . . . . 0.0 114.429 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.8 -54.11 8.81 Favored Glycine 0 N--CA 1.468 0.808 0 CA-C-N 118.723 1.261 . . . . 0.0 110.379 170.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' CYS . . . . . . . . . . . . . 16.1 m -56.44 -40.09 74.21 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.68 0.792 . . . . 0.0 112.782 173.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.86 -44.25 86.45 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 118.993 0.815 . . . . 0.0 112.645 173.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -66.07 -36.75 84.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.764 -0.585 . . . . 0.0 111.965 175.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.46 84.94 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.323 -0.86 . . . . 0.0 111.938 171.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' VAL . . . . . . . . . . . . . 52.4 t -55.14 -45.76 77.36 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.075 0 CA-C-N 118.851 0.751 . . . . 0.0 110.231 173.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 6.9 t -64.27 -38.22 90.27 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.445 0.906 . . . . 0.0 113.445 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 69.4 mtt180 -71.33 -36.53 71.59 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.35 1.06 . . . . 0.0 112.855 172.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' VAL . . . . . . . . . . . . . 41.8 t -70.35 -39.94 77.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.364 0.984 . . . . 0.0 111.731 176.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 72.2 mt -67.05 -33.78 76.26 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 119.162 0.892 . . . . 0.0 112.114 174.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -58.35 -16.67 15.44 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 173.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.36 -41.27 84.37 Favored 'General case' 0 CA--C 1.549 0.928 0 CA-C-N 119.754 1.161 . . . . 0.0 112.274 167.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LEU . . . . . . . . . . . . . 94.0 mt -73.18 -42.24 62.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 124.497 1.119 . . . . 0.0 112.312 170.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . 79.59 -49.04 3.56 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.312 1.435 . . . . 0.0 113.535 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . -75.9 69.59 2.13 Favored Glycine 0 N--CA 1.469 0.878 0 C-N-CA 125.491 1.52 . . . . 0.0 112.02 176.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -150.35 123.4 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.147 1.379 . . . . 0.0 112.354 -169.086 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LYS . . . . . . . . . . . . . 19.8 ttmt -113.58 130.67 56.33 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.841 2.056 . . . . 0.0 110.427 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -157.09 149.57 23.2 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 -174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -114.21 148.38 37.42 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 126.629 1.971 . . . . 0.0 109.859 165.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ILE . . . . . . . . . . . . . 25.9 mt -121.7 132.74 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 124.282 1.033 . . . . 0.0 110.292 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -120.28 118.51 30.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.196 1.399 . . . . 0.0 109.935 173.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.24 -36.42 0.68 Allowed Pre-proline 0 CA--C 1.544 0.719 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.412 -174.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -62.98 -48.16 7.11 Favored 'Trans proline' 0 CA--C 1.539 0.734 0 C-N-CA 122.106 1.871 . . . . 0.0 113.225 173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -82.36 -17.9 43.97 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.212 1.005 . . . . 0.0 113.111 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 74.49 32.46 0.93 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.38 2.272 . . . . 0.0 111.613 170.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LYS . . . . . . . . . . . . . 40.2 ttmt -111.47 138.28 48.19 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.826 2.051 . . . . 0.0 112.184 -166.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . . . . . . . . . 35.3 m -115.77 129.54 71.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 124.933 1.293 . . . . 0.0 109.248 167.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' CYS . . . . . . . . . . . . . 84.4 m -111.07 101.85 10.35 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 123.908 0.883 . . . . 0.0 109.804 -174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 67.4 mt -101.14 145.34 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 124.465 1.106 . . . . 0.0 111.265 -167.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.71 142.23 46.73 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.32 0.581 . . . . 0.0 111.197 143.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 27.3 t -152.81 152.82 32.03 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.752 1.621 . . . . 0.0 111.981 -167.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.21 -3.3 10.23 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.552 1.315 . . . . 0.0 114.552 170.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -100.17 162.78 12.74 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.438 1.495 . . . . 0.0 113.584 178.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' SER . . . . . . . . . . . . . 41.2 m -73.83 158.62 34.2 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 120.933 -1.104 . . . . 0.0 113.861 177.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 32.7 ttp -58.74 -37.12 75.5 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.296 1.039 . . . . 0.0 113.032 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -70.41 -29.54 66.18 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.983 0.913 . . . . 0.0 113.432 176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' THR . . . . . . . . . . . . . 7.1 m -68.09 -43.56 78.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.499 1.519 . . . . 0.0 110.174 173.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.87 -50.62 70.18 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 124.023 0.929 . . . . 0.0 111.11 174.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 56.0 mt -58.23 -48.38 80.55 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.655 0.782 . . . . 0.0 112.513 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ALA . . . . . . . . . . . . . . . -61.11 -35.4 76.92 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' THR . . . . . . . . . . . . . 67.7 m -70.95 -49.28 47.26 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.468 1.107 . . . . 0.0 111.367 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 46.7 mt -58.58 -41.06 84.86 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.608 1.163 . . . . 0.0 112.299 -178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -52.64 -29.96 28.97 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.784 1.234 . . . . 0.0 113.855 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -53.32 -43.66 67.8 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 119.636 1.107 . . . . 0.0 113.119 178.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.2 1.28 0.33 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.366 2.666 . . . . 0.0 116.405 -169.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' GLY . . . . . . . . . . . . . . . 76.14 37.83 36.43 Favored Glycine 0 CA--C 1.527 0.79 0 O-C-N 120.767 -1.208 . . . . 0.0 112.299 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.52 141.94 49.85 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.408 1.083 . . . . 0.0 112.071 171.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 134' ' ' THR . . . . . . . . . . . . . 91.5 m -74.37 102.11 4.3 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 127.824 2.449 . . . . 0.0 105.424 168.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 135' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.97 136.26 43.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 C-N-CA 124.132 0.973 . . . . 0.0 111.733 -169.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 136' ' ' SER . . . . . . . . . . . . . 17.0 m -137.04 140.91 42.4 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.255 1.026 . . . . 0.0 113.126 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 137' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -77.24 140.78 40.18 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.148 1.779 . . . . 0.0 112.177 174.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -157.24 53.52 0.49 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 139' ' ' GLY . . . . . . . . . . . . . . . 153.3 138.38 2.67 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 117.18 1.632 . . . . 0.0 117.18 168.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 140' ' ' LEU . . . . . . . . . . . . . 33.7 tp -113.21 147.49 37.36 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.032 1.733 . . . . 0.0 109.383 163.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 . . . . . 0 C--O 1.253 1.251 0 C-N-CA 124.042 0.937 . . . . 0.0 112.383 175.399 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_