data_2m3z_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 2m3z _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 ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -161.54 147.61 14.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.881 1.672 . . . . 0.0 109.481 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -98.03 -33.07 11.32 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.521 0.728 . . . . 0.0 112.91 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.42 179.51 29.44 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.105 1.336 . . . . 0.0 112.85 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -60.12 -34.54 73.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.07 0.948 . . . . 0.0 112.11 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -91.29 165.51 13.4 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -71.97 71.88 0.82 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.376 1.871 . . . . 0.0 112.463 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.26 -3.23 55.77 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.175 1.39 . . . . 0.0 114.149 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -143.21 -44.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.86 1.664 . . . . 0.0 110.296 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -53.59 99.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.649 2.379 . . . . 0.0 111.652 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt 66.12 -59.98 0.31 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.791 2.436 . . . . 0.0 113.658 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.9 p -103.51 167.49 9.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.604 1.961 . . . . 0.0 111.933 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -122.1 140.73 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.336 1.854 . . . . 0.0 108.047 168.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t -77.35 69.04 3.56 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -109.49 -14.8 14.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.951 1.7 . . . . 0.0 114.149 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.68 152.49 43.79 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.278 1.031 . . . . 0.0 113.701 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -72.56 151.81 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.754 1.222 . . . . 0.0 112.268 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -77.97 162.37 26.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.114 0.966 . . . . 0.0 111.052 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.28 164.03 39.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.32 1.448 . . . . 0.0 111.943 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.991 1.716 . . . . 0.0 111.039 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -155.81 158.12 37.58 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.488 1.515 . . . . 0.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.68 -18.79 65.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.18 -162.85 53.84 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.992 1.282 . . . . 0.0 113.04 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -67.08 127.12 31.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.592 0.757 . . . . 0.0 111.891 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.14 163.56 24.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -74.71 71.3 1.93 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.826 1.25 . . . . 0.0 111.461 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -103.68 -8.55 19.83 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.47 1.508 . . . . 0.0 113.643 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.95 -60.36 1.76 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.346 1.458 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -82.26 126.45 32.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.421 1.089 . . . . 0.0 111.141 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 67.88 -69.38 0.14 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.922 2.489 . . . . 0.0 113.566 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 p -92.28 168.67 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.851 2.061 . . . . 0.0 111.448 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.86 139.33 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.831 1.652 . . . . 0.0 109.013 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t -62.09 148.87 42.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.3 p -124.59 -12.95 7.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.049 1.74 . . . . 0.0 114.257 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.22 137.15 36.69 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.58 1.082 . . . . 0.0 112.325 -173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -139.6 1.3 1.92 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.319 1.447 . . . . 0.0 113.552 -170.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.28 148.11 51.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.905 1.282 . . . . 0.0 111.657 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.97 -15.26 59.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.594 1.958 . . . . 0.0 111.399 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -99.59 157.53 16.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.389 1.076 . . . . 0.0 110.575 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.14 -23.44 63.9 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.79 1.81 88.27 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.722 1.63 . . . . 0.0 115.252 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -64.09 157.35 25.63 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.522 1.661 . . . . 0.0 113.496 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.61 158.24 44.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.019 1.328 . . . . 0.0 111.605 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -75.96 56.17 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.327 1.851 . . . . 0.0 112.175 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -81.77 -17.85 46.24 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.704 1.601 . . . . 0.0 113.953 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -141.14 -38.09 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.456 1.503 . . . . 0.0 111.636 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -69.44 121.43 16.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.483 1.113 . . . . 0.0 110.723 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 65.54 -19.87 0.09 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.453 2.701 . . . . 0.0 116.506 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -163.87 -170.02 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.424 2.29 . . . . 0.0 110.057 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -141.7 138.24 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.953 2.101 . . . . 0.0 109.724 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.4 43.35 0.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.8 m -84.04 -41.44 17.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.695 1.598 . . . . 0.0 110.432 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.44 173.64 7.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.993 1.717 . . . . 0.0 111.847 171.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -108.52 148.93 29.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.744 1.218 . . . . 0.0 110.538 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -138.93 147.99 43.0 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.701 1.2 . . . . 0.0 110.499 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.62 167.2 17.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.377 1.871 . . . . 0.0 111.346 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.924 1.69 . . . . 0.0 111.087 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.9 pt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 119.999 -0.048 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.53 154.17 40.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.19 0.596 . . . . 0.0 111.542 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -67.85 -25.74 65.69 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 167.2 42.96 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.543 1.544 . . . . 0.0 113.589 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.21 153.72 24.59 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.794 1.238 . . . . 0.0 112.669 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -127.46 176.25 7.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.555 1.542 . . . . 0.0 111.338 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ptm85 -74.05 13.33 0.56 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.73 17.79 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 127.365 2.266 . . . . 0.0 116.75 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -130.25 -13.06 3.99 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.655 1.582 . . . . 0.0 112.473 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -88.45 62.26 6.52 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.768 1.627 . . . . 0.0 110.366 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 70.58 -44.56 0.58 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.597 2.759 . . . . 0.0 112.514 -169.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -61.35 150.88 33.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 127.236 2.214 . . . . 0.0 109.672 168.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -149.07 146.31 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.929 1.292 . . . . 0.0 109.797 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t -101.18 140.31 35.66 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -87.74 -72.12 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 111.212 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -155.65 161.53 40.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.836 1.655 . . . . 0.0 113.397 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -70.79 164.25 25.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.29 1.436 . . . . 0.0 112.498 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -86.33 -148.35 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 167.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.28 27.26 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 O-C-N 120.35 -1.469 . . . . 0.0 112.578 169.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 127.168 2.187 . . . . 0.0 114.058 -169.261 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 pt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 78.39 160.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.651 2.38 . . . . 0.0 111.832 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -58.64 -27.11 64.42 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.926 1.29 . . . . 0.0 113.523 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 177.52 44.72 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 126.185 1.85 . . . . 0.0 112.732 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -73.79 -8.44 56.04 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -67.97 175.12 3.26 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.497 1.919 . . . . 0.0 113.223 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -51.77 -53.71 36.73 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.795 1.238 . . . . 0.0 112.4 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t30 66.3 -40.97 0.36 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.766 2.826 . . . . 0.0 116.327 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -139.28 -41.22 0.46 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.686 2.394 . . . . 0.0 110.647 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.9 113.78 14.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.43 1.092 . . . . 0.0 110.814 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.24 -32.76 0.22 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.151 2.58 . . . . 0.0 115.127 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -139.2 136.34 34.93 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.42 1.888 . . . . 0.0 109.167 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.97 150.32 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.331 1.453 . . . . 0.0 110.563 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.52 175.29 7.18 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -139.41 -81.77 0.29 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.406 1.882 . . . . 0.0 110.076 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.32 159.69 24.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.826 2.05 . . . . 0.0 111.9 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -57.73 136.08 56.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -96.14 -7.01 37.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.594 -173.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.22 155.91 40.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.325 . . . . 0.0 112.111 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.724 1.609 . . . . 0.0 112.078 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.4 162.75 40.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.144 1.378 . . . . 0.0 110.608 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -63.76 158.75 20.92 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.78 1.86 88.83 Favored Glycine 0 N--CA 1.475 1.269 0 C-N-CA 125.133 1.349 . . . . 0.0 114.976 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -95.99 5.4 51.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.559 1.544 . . . . 0.0 114.141 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -79.09 -162.13 0.37 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.595 1.558 . . . . 0.0 111.625 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.28 7.23 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.689 1.195 . . . . 0.0 113.834 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.74 8.43 0.26 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.81 2.444 . . . . 0.0 116.295 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -122.65 3.9 9.55 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.796 1.238 . . . . 0.0 112.471 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.9 -71.31 0.36 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 111.741 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -87.9 -28.4 21.57 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -133.35 -175.63 3.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.73 2.012 . . . . 0.0 110.037 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.09 143.23 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.581 1.553 . . . . 0.0 108.227 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.95 136.52 38.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.3 p -92.19 -35.61 13.73 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.053 1.341 . . . . 0.0 114.469 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.71 155.86 39.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.0 0.92 . . . . 0.0 112.632 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -118.42 157.5 27.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.55 1.14 . . . . 0.0 113.188 -169.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -78.65 -30.41 46.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.382 1.073 . . . . 0.0 112.724 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.28 154.9 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.168 1.387 . . . . 0.0 111.779 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 125.989 1.716 . . . . 0.0 112.156 -177.516 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -131.57 160.91 33.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.948 1.299 . . . . 0.0 110.334 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.28 58.62 3.64 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.625 1.17 . . . . 0.0 112.423 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.51 -120.07 10.97 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.934 1.254 . . . . 0.0 111.675 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -66.51 -23.03 66.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.954 0.902 . . . . 0.0 113.405 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -102.85 145.98 28.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.065 1.346 . . . . 0.0 111.733 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -84.91 127.95 34.4 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.537 0.735 . . . . 0.0 110.935 172.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -76.64 47.68 0.51 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.056 2.142 . . . . 0.0 112.306 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 67.15 7.94 5.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.164 2.185 . . . . 0.0 113.472 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -73.65 99.5 3.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.235 1.014 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttm 70.54 -43.48 0.55 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.241 3.016 . . . . 0.0 113.515 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.3 m -132.7 167.72 19.61 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.287 2.635 . . . . 0.0 108.184 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 145.68 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.144 1.378 . . . . 0.0 109.522 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t -105.52 157.37 17.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.9 p -139.99 -52.88 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.566 2.346 . . . . 0.0 109.7 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -148.89 172.56 14.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.82 2.448 . . . . 0.0 111.57 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -52.37 -25.25 9.31 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.93 -6.57 58.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.609 1.164 . . . . 0.0 113.827 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -15.43 62.45 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.753 1.621 . . . . 0.0 111.431 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.524 0.202 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.91 -29.11 66.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.777 0.831 . . . . 0.0 112.712 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.27 -12.26 61.52 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.865 1.266 . . . . 0.0 113.876 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.63 -175.98 42.61 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.212 1.387 . . . . 0.0 111.858 -169.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.27 149.25 29.24 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -75.51 165.86 24.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.618 1.167 . . . . 0.0 111.469 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -75.98 34.2 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.663 1.585 . . . . 0.0 114.057 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -69.41 6.54 1.02 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -117.5 -11.69 10.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.923 1.289 . . . . 0.0 112.527 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -95.01 81.12 3.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.256 1.422 . . . . 0.0 109.915 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 72.44 -50.15 0.7 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.412 2.685 . . . . 0.0 113.67 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -83.31 178.97 7.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 171.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.4 142.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.377 2.271 . . . . 0.0 109.517 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -80.37 116.23 20.32 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p -79.67 -66.1 0.92 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.719 1.208 . . . . 0.0 109.613 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -151.62 158.5 43.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.802 2.441 . . . . 0.0 110.689 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -69.11 107.3 3.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.847 -0.533 . . . . 0.0 110.834 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -82.47 166.88 18.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 0.0 110.755 171.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.75 58.63 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.321 1.848 . . . . 0.0 111.699 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.14 158.79 43.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.366 1.466 . . . . 0.0 109.683 173.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.65 -25.61 67.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 160.84 13.72 Favored Glycine 0 N--CA 1.475 1.248 0 C-N-CA 126.005 1.764 . . . . 0.0 113.063 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -69.76 -40.35 76.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.034 0.934 . . . . 0.0 112.921 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -93.74 -165.42 1.32 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.948 1.699 . . . . 0.0 110.367 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.08 126.86 29.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.4 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -148.87 -25.44 0.31 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.709 1.204 . . . . 0.0 112.648 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -136.32 -37.07 0.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.48 1.512 . . . . 0.0 110.669 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -84.53 119.73 25.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.622 1.569 . . . . 0.0 110.774 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.83 -34.78 0.23 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 128.932 2.893 . . . . 0.0 116.108 175.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -143.66 140.67 30.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.046 1.738 . . . . 0.0 109.2 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -98.61 147.43 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.067 1.347 . . . . 0.0 110.063 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t -71.15 73.36 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -71.3 -68.7 0.42 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.296 1.438 . . . . 0.0 110.535 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.77 159.69 18.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.231 1.813 . . . . 0.0 112.327 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -126.75 148.83 49.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.192 1.797 . . . . 0.0 109.763 172.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -133.87 152.31 51.82 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.85 1.26 . . . . 0.0 110.802 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.55 160.94 21.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 112.798 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.586 1.555 . . . . 0.0 111.482 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 119.676 -0.202 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -157.58 164.53 37.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.896 1.278 . . . . 0.0 111.223 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -56.3 -38.72 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.906 1.282 . . . . 0.0 113.738 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.8 1.49 78.34 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.706 1.622 . . . . 0.0 115.034 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -64.07 -34.02 77.09 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.041 1.42 . . . . 0.0 113.226 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.42 151.61 20.39 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.528 1.131 . . . . 0.0 112.845 -170.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -77.97 110.72 13.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.096 0.958 . . . . 0.0 110.192 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -122.05 -0.27 9.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.281 1.432 . . . . 0.0 113.661 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -147.32 -56.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.74 1.616 . . . . 0.0 110.435 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -75.64 120.26 20.8 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.676 0.79 . . . . 0.0 110.226 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 69.28 -41.07 0.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 128.225 2.61 . . . . 0.0 114.642 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -136.96 142.37 42.61 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.518 1.927 . . . . 0.0 109.422 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.88 145.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.718 1.607 . . . . 0.0 110.148 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.32 126.51 29.49 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 m -83.68 -34.94 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.164 1.385 . . . . 0.0 113.491 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.85 154.08 28.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.973 0.909 . . . . 0.0 113.261 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -93.1 171.57 8.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.025 1.33 . . . . 0.0 113.421 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -76.58 162.1 28.05 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.862 0.865 . . . . 0.0 109.946 168.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.4 160.3 42.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.475 1.11 . . . . 0.0 112.59 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.358 1.863 . . . . 0.0 110.968 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -161.54 147.61 14.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.881 1.672 . . . . 0.0 109.481 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -98.03 -33.07 11.32 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.521 0.728 . . . . 0.0 112.91 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.42 179.51 29.44 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.105 1.336 . . . . 0.0 112.85 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -60.12 -34.54 73.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.07 0.948 . . . . 0.0 112.11 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -91.29 165.51 13.4 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -71.97 71.88 0.82 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.376 1.871 . . . . 0.0 112.463 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.26 -3.23 55.77 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.175 1.39 . . . . 0.0 114.149 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -143.21 -44.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.86 1.664 . . . . 0.0 110.296 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -53.59 99.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.649 2.379 . . . . 0.0 111.652 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt 66.12 -59.98 0.31 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.791 2.436 . . . . 0.0 113.658 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.9 p -103.51 167.49 9.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.604 1.961 . . . . 0.0 111.933 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -122.1 140.73 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.336 1.854 . . . . 0.0 108.047 168.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t -77.35 69.04 3.56 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -109.49 -14.8 14.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.951 1.7 . . . . 0.0 114.149 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.68 152.49 43.79 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.278 1.031 . . . . 0.0 113.701 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -72.56 151.81 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.754 1.222 . . . . 0.0 112.268 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -77.97 162.37 26.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.114 0.966 . . . . 0.0 111.052 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.28 164.03 39.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.32 1.448 . . . . 0.0 111.943 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.991 1.716 . . . . 0.0 111.039 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -155.81 158.12 37.58 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.488 1.515 . . . . 0.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.68 -18.79 65.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.18 -162.85 53.84 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.992 1.282 . . . . 0.0 113.04 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -67.08 127.12 31.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.592 0.757 . . . . 0.0 111.891 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.14 163.56 24.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -74.71 71.3 1.93 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.826 1.25 . . . . 0.0 111.461 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -103.68 -8.55 19.83 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.47 1.508 . . . . 0.0 113.643 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.95 -60.36 1.76 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.346 1.458 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -82.26 126.45 32.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.421 1.089 . . . . 0.0 111.141 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 67.88 -69.38 0.14 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.922 2.489 . . . . 0.0 113.566 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 p -92.28 168.67 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.851 2.061 . . . . 0.0 111.448 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.86 139.33 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.831 1.652 . . . . 0.0 109.013 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t -62.09 148.87 42.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.3 p -124.59 -12.95 7.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.049 1.74 . . . . 0.0 114.257 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.22 137.15 36.69 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.58 1.082 . . . . 0.0 112.325 -173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -139.6 1.3 1.92 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.319 1.447 . . . . 0.0 113.552 -170.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.28 148.11 51.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.905 1.282 . . . . 0.0 111.657 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.97 -15.26 59.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.594 1.958 . . . . 0.0 111.399 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -99.59 157.53 16.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.389 1.076 . . . . 0.0 110.575 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.14 -23.44 63.9 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.79 1.81 88.27 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.722 1.63 . . . . 0.0 115.252 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -64.09 157.35 25.63 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.522 1.661 . . . . 0.0 113.496 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.61 158.24 44.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.019 1.328 . . . . 0.0 111.605 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -75.96 56.17 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.327 1.851 . . . . 0.0 112.175 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -81.77 -17.85 46.24 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.704 1.601 . . . . 0.0 113.953 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -141.14 -38.09 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.456 1.503 . . . . 0.0 111.636 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -69.44 121.43 16.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.483 1.113 . . . . 0.0 110.723 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 65.54 -19.87 0.09 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.453 2.701 . . . . 0.0 116.506 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -163.87 -170.02 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.424 2.29 . . . . 0.0 110.057 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -141.7 138.24 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.953 2.101 . . . . 0.0 109.724 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.4 43.35 0.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.8 m -84.04 -41.44 17.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.695 1.598 . . . . 0.0 110.432 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.44 173.64 7.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.993 1.717 . . . . 0.0 111.847 171.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -108.52 148.93 29.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.744 1.218 . . . . 0.0 110.538 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -138.93 147.99 43.0 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.701 1.2 . . . . 0.0 110.499 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.62 167.2 17.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.377 1.871 . . . . 0.0 111.346 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.924 1.69 . . . . 0.0 111.087 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.9 pt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 119.999 -0.048 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.53 154.17 40.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.19 0.596 . . . . 0.0 111.542 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -67.85 -25.74 65.69 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 167.2 42.96 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.543 1.544 . . . . 0.0 113.589 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.21 153.72 24.59 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.794 1.238 . . . . 0.0 112.669 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -127.46 176.25 7.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.555 1.542 . . . . 0.0 111.338 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ptm85 -74.05 13.33 0.56 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.73 17.79 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 127.365 2.266 . . . . 0.0 116.75 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -130.25 -13.06 3.99 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.655 1.582 . . . . 0.0 112.473 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -88.45 62.26 6.52 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.768 1.627 . . . . 0.0 110.366 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 70.58 -44.56 0.58 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.597 2.759 . . . . 0.0 112.514 -169.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -61.35 150.88 33.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 127.236 2.214 . . . . 0.0 109.672 168.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -149.07 146.31 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.929 1.292 . . . . 0.0 109.797 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t -101.18 140.31 35.66 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -87.74 -72.12 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 111.212 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -155.65 161.53 40.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.836 1.655 . . . . 0.0 113.397 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -70.79 164.25 25.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.29 1.436 . . . . 0.0 112.498 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -86.33 -148.35 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 167.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.28 27.26 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 O-C-N 120.35 -1.469 . . . . 0.0 112.578 169.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 127.168 2.187 . . . . 0.0 114.058 -169.261 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 pt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 78.39 160.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.651 2.38 . . . . 0.0 111.832 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -58.64 -27.11 64.42 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.926 1.29 . . . . 0.0 113.523 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 177.52 44.72 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 126.185 1.85 . . . . 0.0 112.732 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -73.79 -8.44 56.04 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -67.97 175.12 3.26 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.497 1.919 . . . . 0.0 113.223 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -51.77 -53.71 36.73 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.795 1.238 . . . . 0.0 112.4 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t30 66.3 -40.97 0.36 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.766 2.826 . . . . 0.0 116.327 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -139.28 -41.22 0.46 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.686 2.394 . . . . 0.0 110.647 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.9 113.78 14.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.43 1.092 . . . . 0.0 110.814 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.24 -32.76 0.22 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.151 2.58 . . . . 0.0 115.127 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -139.2 136.34 34.93 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.42 1.888 . . . . 0.0 109.167 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.97 150.32 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.331 1.453 . . . . 0.0 110.563 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.52 175.29 7.18 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -139.41 -81.77 0.29 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.406 1.882 . . . . 0.0 110.076 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.32 159.69 24.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.826 2.05 . . . . 0.0 111.9 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -57.73 136.08 56.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -96.14 -7.01 37.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.594 -173.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.22 155.91 40.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.325 . . . . 0.0 112.111 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.724 1.609 . . . . 0.0 112.078 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.4 162.75 40.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.144 1.378 . . . . 0.0 110.608 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -63.76 158.75 20.92 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.78 1.86 88.83 Favored Glycine 0 N--CA 1.475 1.269 0 C-N-CA 125.133 1.349 . . . . 0.0 114.976 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -95.99 5.4 51.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.559 1.544 . . . . 0.0 114.141 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -79.09 -162.13 0.37 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.595 1.558 . . . . 0.0 111.625 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.28 7.23 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.689 1.195 . . . . 0.0 113.834 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.74 8.43 0.26 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.81 2.444 . . . . 0.0 116.295 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -122.65 3.9 9.55 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.796 1.238 . . . . 0.0 112.471 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.9 -71.31 0.36 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 111.741 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -87.9 -28.4 21.57 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -133.35 -175.63 3.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.73 2.012 . . . . 0.0 110.037 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.09 143.23 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.581 1.553 . . . . 0.0 108.227 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.95 136.52 38.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.3 p -92.19 -35.61 13.73 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.053 1.341 . . . . 0.0 114.469 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.71 155.86 39.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.0 0.92 . . . . 0.0 112.632 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -118.42 157.5 27.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.55 1.14 . . . . 0.0 113.188 -169.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -78.65 -30.41 46.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.382 1.073 . . . . 0.0 112.724 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.28 154.9 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.168 1.387 . . . . 0.0 111.779 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 125.989 1.716 . . . . 0.0 112.156 -177.516 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -131.57 160.91 33.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.948 1.299 . . . . 0.0 110.334 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.28 58.62 3.64 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.625 1.17 . . . . 0.0 112.423 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.51 -120.07 10.97 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.934 1.254 . . . . 0.0 111.675 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -66.51 -23.03 66.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.954 0.902 . . . . 0.0 113.405 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -102.85 145.98 28.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.065 1.346 . . . . 0.0 111.733 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -84.91 127.95 34.4 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.537 0.735 . . . . 0.0 110.935 172.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -76.64 47.68 0.51 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.056 2.142 . . . . 0.0 112.306 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 67.15 7.94 5.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.164 2.185 . . . . 0.0 113.472 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -73.65 99.5 3.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.235 1.014 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttm 70.54 -43.48 0.55 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.241 3.016 . . . . 0.0 113.515 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.3 m -132.7 167.72 19.61 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.287 2.635 . . . . 0.0 108.184 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 145.68 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.144 1.378 . . . . 0.0 109.522 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t -105.52 157.37 17.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.9 p -139.99 -52.88 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.566 2.346 . . . . 0.0 109.7 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -148.89 172.56 14.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.82 2.448 . . . . 0.0 111.57 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -52.37 -25.25 9.31 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.93 -6.57 58.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.609 1.164 . . . . 0.0 113.827 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -15.43 62.45 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.753 1.621 . . . . 0.0 111.431 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.524 0.202 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.91 -29.11 66.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.777 0.831 . . . . 0.0 112.712 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.27 -12.26 61.52 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.865 1.266 . . . . 0.0 113.876 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.63 -175.98 42.61 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.212 1.387 . . . . 0.0 111.858 -169.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.27 149.25 29.24 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -75.51 165.86 24.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.618 1.167 . . . . 0.0 111.469 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -75.98 34.2 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.663 1.585 . . . . 0.0 114.057 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -69.41 6.54 1.02 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -117.5 -11.69 10.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.923 1.289 . . . . 0.0 112.527 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -95.01 81.12 3.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.256 1.422 . . . . 0.0 109.915 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 72.44 -50.15 0.7 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.412 2.685 . . . . 0.0 113.67 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -83.31 178.97 7.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 171.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.4 142.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.377 2.271 . . . . 0.0 109.517 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -80.37 116.23 20.32 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p -79.67 -66.1 0.92 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.719 1.208 . . . . 0.0 109.613 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -151.62 158.5 43.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.802 2.441 . . . . 0.0 110.689 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -69.11 107.3 3.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.847 -0.533 . . . . 0.0 110.834 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -82.47 166.88 18.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 0.0 110.755 171.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.75 58.63 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.321 1.848 . . . . 0.0 111.699 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.14 158.79 43.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.366 1.466 . . . . 0.0 109.683 173.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.65 -25.61 67.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 160.84 13.72 Favored Glycine 0 N--CA 1.475 1.248 0 C-N-CA 126.005 1.764 . . . . 0.0 113.063 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -69.76 -40.35 76.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.034 0.934 . . . . 0.0 112.921 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -93.74 -165.42 1.32 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.948 1.699 . . . . 0.0 110.367 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.08 126.86 29.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.4 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -148.87 -25.44 0.31 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.709 1.204 . . . . 0.0 112.648 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -136.32 -37.07 0.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.48 1.512 . . . . 0.0 110.669 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -84.53 119.73 25.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.622 1.569 . . . . 0.0 110.774 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.83 -34.78 0.23 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 128.932 2.893 . . . . 0.0 116.108 175.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -143.66 140.67 30.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.046 1.738 . . . . 0.0 109.2 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -98.61 147.43 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.067 1.347 . . . . 0.0 110.063 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t -71.15 73.36 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -71.3 -68.7 0.42 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.296 1.438 . . . . 0.0 110.535 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.77 159.69 18.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.231 1.813 . . . . 0.0 112.327 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -126.75 148.83 49.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.192 1.797 . . . . 0.0 109.763 172.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -133.87 152.31 51.82 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.85 1.26 . . . . 0.0 110.802 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.55 160.94 21.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 112.798 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.586 1.555 . . . . 0.0 111.482 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 119.676 -0.202 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -157.58 164.53 37.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.896 1.278 . . . . 0.0 111.223 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -56.3 -38.72 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.906 1.282 . . . . 0.0 113.738 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.8 1.49 78.34 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.706 1.622 . . . . 0.0 115.034 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -64.07 -34.02 77.09 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.041 1.42 . . . . 0.0 113.226 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.42 151.61 20.39 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.528 1.131 . . . . 0.0 112.845 -170.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -77.97 110.72 13.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.096 0.958 . . . . 0.0 110.192 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -122.05 -0.27 9.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.281 1.432 . . . . 0.0 113.661 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -147.32 -56.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.74 1.616 . . . . 0.0 110.435 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -75.64 120.26 20.8 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.676 0.79 . . . . 0.0 110.226 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 69.28 -41.07 0.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 128.225 2.61 . . . . 0.0 114.642 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -136.96 142.37 42.61 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.518 1.927 . . . . 0.0 109.422 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.88 145.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.718 1.607 . . . . 0.0 110.148 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.32 126.51 29.49 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 m -83.68 -34.94 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.164 1.385 . . . . 0.0 113.491 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.85 154.08 28.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.973 0.909 . . . . 0.0 113.261 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -93.1 171.57 8.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.025 1.33 . . . . 0.0 113.421 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -76.58 162.1 28.05 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.862 0.865 . . . . 0.0 109.946 168.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.4 160.3 42.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.475 1.11 . . . . 0.0 112.59 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.358 1.863 . . . . 0.0 110.968 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t . . . . . 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.517 -0.278 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.47 0.566 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p . . . . . 0 N--CA 1.475 0.807 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.47 0.551 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t . . . . . 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 110.148 -0.316 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.492 1.647 0 CA-C-O 119.73 -0.176 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -161.54 147.61 14.02 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.881 1.672 . . . . 0.0 109.481 175.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -98.03 -33.07 11.32 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.521 0.728 . . . . 0.0 112.91 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.42 179.51 29.44 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 125.105 1.336 . . . . 0.0 112.85 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -60.12 -34.54 73.65 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.07 0.948 . . . . 0.0 112.11 170.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -91.29 165.51 13.4 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.438 1.495 . . . . 0.0 112.595 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.6 ptt85 -71.97 71.88 0.82 Allowed 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.376 1.871 . . . . 0.0 112.463 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -92.26 -3.23 55.77 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.175 1.39 . . . . 0.0 114.149 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -143.21 -44.05 0.29 Allowed 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.86 1.664 . . . . 0.0 110.296 174.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -53.59 99.34 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 127.649 2.379 . . . . 0.0 111.652 173.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt 66.12 -59.98 0.31 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 127.791 2.436 . . . . 0.0 113.658 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 39.9 p -103.51 167.49 9.77 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.604 1.961 . . . . 0.0 111.933 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.5 p -122.1 140.73 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 126.336 1.854 . . . . 0.0 108.047 168.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -132.96 127.71 34.82 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.171 0.989 . . . . 0.0 112.425 -170.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -66.59 141.2 57.91 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.293 1.037 . . . . 0.0 112.997 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.2 m-30 -82.7 -26.58 31.9 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 112.632 176.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -80.46 -57.06 3.77 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.23 0.923 . . . . 0.0 112.14 -177.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.6 p -99.91 -16.97 17.81 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 -175.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 88.04 -5.45 84.83 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.873 1.225 . . . . 0.0 115.027 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.1 tttm -82.85 151.6 25.97 Favored 'General case' 0 CA--C 1.546 0.812 0 CA-C-N 119.68 1.74 . . . . 0.0 112.56 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -72.25 169.65 15.76 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 116.338 1.977 . . . . 0.0 116.338 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.23 3.03 85.16 Favored Glycine 0 CA--C 1.528 0.889 0 CA-C-N 113.536 -1.666 . . . . 0.0 114.638 169.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -159.53 177.28 11.09 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.12 1.368 . . . . 0.0 112.391 -176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 pt -126.86 159.59 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 127.141 2.176 . . . . 0.0 109.397 176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.67 -27.44 64.8 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 -175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.49 -30.64 71.67 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.858 1.263 . . . . 0.0 113.061 173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -97.57 -19.9 18.04 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 126.965 2.106 . . . . 0.0 112.032 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 t -58.68 150.76 22.52 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.989 1.716 . . . . 0.0 114.403 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -112.85 -1.59 14.59 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.312 1.845 . . . . 0.0 113.457 176.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.8 155.95 92.18 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.45 1.023 . . . . 0.0 111.735 177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -64.18 143.4 83.79 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 122.922 2.415 . . . . 0.0 110.919 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtt-85 -97.16 133.52 41.7 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.388 1.075 . . . . 0.0 110.629 -175.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -68.13 177.03 2.4 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 126.041 1.736 . . . . 0.0 114.135 -170.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.13 17.62 4.14 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.672 1.189 . . . . 0.0 113.285 171.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -167.63 177.15 42.15 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 125.468 1.509 . . . . 0.0 114.922 -174.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 51.1 t -59.9 138.53 57.8 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 127.528 2.331 . . . . 0.0 113.774 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -83.63 -18.2 38.93 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 113.062 0.764 . . . . 0.0 113.062 172.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -90.72 -36.35 14.37 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.295 1.038 . . . . 0.0 113.54 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -115.49 -19.79 10.49 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.33 -11.19 70.71 Favored Glycine 0 CA--C 1.534 1.239 0 C-N-CA 124.754 1.169 . . . . 0.0 115.001 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -79.16 153.23 30.22 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.419 1.609 . . . . 0.0 113.014 -176.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.13 166.1 23.18 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.46 1.104 . . . . 0.0 113.809 -178.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.56 4.39 85.61 Favored Glycine 0 CA--C 1.532 1.104 0 N-CA-C 117.505 1.762 . . . . 0.0 117.505 167.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.0 p-80 -152.02 159.05 43.82 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 120.043 1.922 . . . . 0.0 113.918 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -92.26 148.49 22.1 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.897 1.279 . . . . 0.0 109.029 168.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 21.1 ptt? -66.36 -10.21 40.98 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -170.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.8 pttt -79.82 -20.51 45.92 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.691 1.132 . . . . 0.0 113.849 168.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -84.33 -13.28 52.83 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.502 1.121 . . . . 0.0 111.798 170.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.4 t -77.35 69.04 3.56 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.626 1.971 . . . . 0.0 111.895 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 60.3 p -109.49 -14.8 14.34 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.951 1.7 . . . . 0.0 114.149 -176.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -70.68 152.49 43.79 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.278 1.031 . . . . 0.0 113.701 -175.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -72.56 151.81 42.19 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.754 1.222 . . . . 0.0 112.268 179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -77.97 162.37 26.82 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.114 0.966 . . . . 0.0 111.052 170.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -155.28 164.03 39.33 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.32 1.448 . . . . 0.0 111.943 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.991 1.716 . . . . 0.0 111.039 -178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.492 1.657 0 N-CA-C 110.727 -0.101 . . . . 0.0 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -155.81 158.12 37.58 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.488 1.515 . . . . 0.0 109.449 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -65.68 -18.79 65.58 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 -174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.18 -162.85 53.84 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.992 1.282 . . . . 0.0 113.04 -178.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -67.08 127.12 31.39 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.592 0.757 . . . . 0.0 111.891 177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -79.14 163.56 24.96 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.475 1.11 . . . . 0.0 112.087 177.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -74.71 71.3 1.93 Allowed 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 124.826 1.25 . . . . 0.0 111.461 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -103.68 -8.55 19.83 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.47 1.508 . . . . 0.0 113.643 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -108.95 -60.36 1.76 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.346 1.458 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -82.26 126.45 32.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.421 1.089 . . . . 0.0 111.141 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 63.1 tttm 67.88 -69.38 0.14 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.922 2.489 . . . . 0.0 113.566 174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.6 p -92.28 168.67 11.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.851 2.061 . . . . 0.0 111.448 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.0 p -137.86 139.33 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 125.831 1.652 . . . . 0.0 109.013 177.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ttmm -129.89 133.42 46.86 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.737 1.215 . . . . 0.0 112.04 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.5 t -64.38 141.25 58.84 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.262 1.425 . . . . 0.0 113.601 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.8 m-30 -84.64 -21.95 30.07 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.007 0.923 . . . . 0.0 112.732 175.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -79.73 -53.72 6.55 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.276 0.944 . . . . 0.0 112.267 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.9 p -106.94 -12.44 15.46 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 114.769 1.396 . . . . 0.0 114.769 -176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.9 8.37 82.58 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 118.754 -1.026 . . . . 0.0 114.86 174.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mtmt -103.1 151.11 22.94 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 119.107 1.453 . . . . 0.0 113.724 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -68.84 168.78 12.76 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.889 2.075 . . . . 0.0 115.951 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.06 4.95 90.44 Favored Glycine 0 CA--C 1.529 0.929 0 C-N-CA 125.759 1.647 . . . . 0.0 115.622 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -161.77 175.45 11.95 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 124.863 1.265 . . . . 0.0 112.213 -173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 46.2 pt -130.02 159.96 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 C-N-CA 125.764 1.626 . . . . 0.0 110.03 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.53 58.23 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.2 tttm -62.71 -39.43 94.01 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.01 1.324 . . . . 0.0 113.536 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 35.8 p30 -109.46 1.76 20.08 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 125.26 1.424 . . . . 0.0 114.029 178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 49.7 t -52.64 149.9 5.6 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.171 1.788 . . . . 0.0 113.332 169.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -112.71 -2.91 14.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.896 1.679 . . . . 0.0 113.298 177.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.73 158.19 78.55 Favored Pre-proline 0 CA--C 1.549 0.941 0 CA-C-N 119.367 0.985 . . . . 0.0 111.434 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -64.86 142.0 73.89 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.77 2.313 . . . . 0.0 110.641 173.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -93.4 142.15 27.65 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.311 1.044 . . . . 0.0 111.914 -176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -61.98 168.61 3.1 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.887 1.675 . . . . 0.0 114.353 -177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -89.8 23.16 2.81 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 125.046 1.338 . . . . 0.0 112.439 173.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.91 178.58 42.15 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.257 1.408 . . . . 0.0 114.599 -174.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.5 t -60.42 135.49 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.076 2.151 . . . . 0.0 113.279 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -81.59 -18.19 45.65 Favored 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -98.92 -26.9 14.12 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 -169.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.2 p -122.49 -17.39 7.02 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 115.197 1.554 . . . . 0.0 115.197 168.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.09 -9.37 72.63 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.96 1.267 . . . . 0.0 115.38 176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -75.64 153.0 37.5 Favored 'General case' 0 CA--C 1.546 0.798 0 CA-C-N 119.276 1.538 . . . . 0.0 112.884 -177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.16 162.27 29.62 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -170.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.07 -58.5 4.58 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 125.696 1.617 . . . . 0.0 115.46 168.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.29 160.89 26.62 Favored 'General case' 0 CA--C 1.553 1.073 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 -169.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -95.37 149.75 21.02 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.772 1.229 . . . . 0.0 110.402 172.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.8 ptt? -65.08 -15.99 62.97 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.498 1.666 . . . . 0.0 115.498 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -81.79 -23.56 36.48 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -80.72 -29.18 36.4 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.82 0.848 . . . . 0.0 110.774 170.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 36.1 t -62.09 148.87 42.87 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.653 1.581 . . . . 0.0 114.13 171.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 42.3 p -124.59 -12.95 7.14 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.049 1.74 . . . . 0.0 114.257 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -97.22 137.15 36.69 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.58 1.082 . . . . 0.0 112.325 -173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.5 mmt-85 -139.6 1.3 1.92 Allowed 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.319 1.447 . . . . 0.0 113.552 -170.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -68.28 148.11 51.23 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.905 1.282 . . . . 0.0 111.657 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.97 -15.26 59.11 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -178.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.253 1.242 0 C-N-CA 126.594 1.958 . . . . 0.0 111.399 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 36.1 pt . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 111.25 0.093 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -99.59 157.53 16.39 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.389 1.076 . . . . 0.0 110.575 174.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.14 -23.44 63.9 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 114.071 1.137 . . . . 0.0 114.071 -176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.79 1.81 88.27 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 125.722 1.63 . . . . 0.0 115.252 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -64.09 157.35 25.63 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.522 1.661 . . . . 0.0 113.496 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.61 158.24 44.27 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.019 1.328 . . . . 0.0 111.605 172.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -75.96 56.17 0.96 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.327 1.851 . . . . 0.0 112.175 171.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -81.77 -17.85 46.24 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.704 1.601 . . . . 0.0 113.953 -173.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -141.14 -38.09 0.42 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.456 1.503 . . . . 0.0 111.636 175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -69.44 121.43 16.97 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.483 1.113 . . . . 0.0 110.723 175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 65.54 -19.87 0.09 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.453 2.701 . . . . 0.0 116.506 176.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.6 t -163.87 -170.02 2.04 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.424 2.29 . . . . 0.0 110.057 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.7 p -141.7 138.24 31.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 C-N-CA 126.953 2.101 . . . . 0.0 109.724 -175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -116.72 122.27 44.03 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.363 1.065 . . . . 0.0 112.129 -170.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.26 139.57 57.52 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.311 1.044 . . . . 0.0 113.081 -178.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -81.47 -26.86 34.89 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.572 0.749 . . . . 0.0 112.73 175.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -83.23 -53.1 6.01 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 119.009 0.822 . . . . 0.0 112.388 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -101.43 -13.92 17.76 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.398 1.259 . . . . 0.0 114.398 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 89.68 -2.97 83.1 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 124.814 1.197 . . . . 0.0 114.971 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -92.37 144.74 25.07 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.567 1.684 . . . . 0.0 113.925 -172.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -64.49 165.24 10.24 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.721 2.008 . . . . 0.0 115.234 172.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.94 -0.48 82.23 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 125.827 1.68 . . . . 0.0 114.743 173.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -160.97 173.49 15.19 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 118.97 1.385 . . . . 0.0 113.321 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.9 pt -121.31 159.97 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 126.98 2.112 . . . . 0.0 110.05 175.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.98 -26.17 61.99 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 -177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -65.45 -32.52 74.18 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.768 1.227 . . . . 0.0 112.986 172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -95.08 -21.04 18.8 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 127.09 2.156 . . . . 0.0 111.804 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 t -57.64 147.61 26.89 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.993 1.717 . . . . 0.0 114.425 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 49.9 tpt85 -100.7 -11.94 19.55 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.339 1.856 . . . . 0.0 113.399 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.25 97.33 Favored Pre-proline 0 CA--C 1.551 0.99 0 CA-C-N 119.74 1.155 . . . . 0.0 112.616 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -51.61 149.01 19.53 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.358 3.372 . . . . 0.0 112.732 169.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -107.1 130.77 54.64 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.506 1.122 . . . . 0.0 110.49 -174.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -68.16 176.7 2.57 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 126.266 1.827 . . . . 0.0 114.331 -169.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -87.75 18.81 3.8 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.886 1.274 . . . . 0.0 113.328 171.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -168.74 179.08 41.82 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 125.649 1.595 . . . . 0.0 114.286 -176.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.2 t -60.65 141.9 56.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.833 2.053 . . . . 0.0 114.061 -175.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.6 m0 -86.21 -21.85 27.25 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.487 0.715 . . . . 0.0 112.85 171.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -89.0 -37.58 15.07 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.382 1.073 . . . . 0.0 113.451 -173.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 p -115.64 -19.67 10.46 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 172.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.87 -13.27 67.8 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.678 1.132 . . . . 0.0 115.033 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -79.28 155.88 28.32 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.349 1.574 . . . . 0.0 112.642 -177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -83.25 173.01 12.0 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -174.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.54 6.49 89.12 Favored Glycine 0 CA--C 1.532 1.122 0 N-CA-C 117.149 1.619 . . . . 0.0 117.149 167.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -155.24 160.02 40.51 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.652 1.726 . . . . 0.0 113.509 -176.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -95.41 148.68 22.21 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.882 1.273 . . . . 0.0 108.891 168.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -66.77 -9.22 34.64 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 116.073 1.879 . . . . 0.0 116.073 -169.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.1 pttt -77.69 -20.13 54.15 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 120.85 -1.156 . . . . 0.0 113.751 168.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -82.52 -16.07 50.07 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.182 0.993 . . . . 0.0 111.737 169.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.1 t -77.4 43.35 0.38 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.513 2.325 . . . . 0.0 113.623 -178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.8 m -84.04 -41.44 17.21 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.695 1.598 . . . . 0.0 110.432 171.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -91.44 173.64 7.79 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.993 1.717 . . . . 0.0 111.847 171.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -108.52 148.93 29.54 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.744 1.218 . . . . 0.0 110.538 169.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -138.93 147.99 43.0 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.701 1.2 . . . . 0.0 110.499 178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.62 167.2 17.49 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.377 1.871 . . . . 0.0 111.346 -177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.254 1.3 0 C-N-CA 125.924 1.69 . . . . 0.0 111.087 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 49.9 pt . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 119.999 -0.048 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -72.53 154.17 40.95 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.19 0.596 . . . . 0.0 111.542 174.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -67.85 -25.74 65.69 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.67 167.2 42.96 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.543 1.544 . . . . 0.0 113.589 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -83.21 153.72 24.59 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 124.794 1.238 . . . . 0.0 112.669 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -127.46 176.25 7.61 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.555 1.542 . . . . 0.0 111.338 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.7 ptm85 -74.05 13.33 0.56 Allowed 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.73 17.79 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 127.365 2.266 . . . . 0.0 116.75 -171.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -130.25 -13.06 3.99 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.655 1.582 . . . . 0.0 112.473 169.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -88.45 62.26 6.52 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.768 1.627 . . . . 0.0 110.366 -174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 70.58 -44.56 0.58 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 128.597 2.759 . . . . 0.0 112.514 -169.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -61.35 150.88 33.74 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 127.236 2.214 . . . . 0.0 109.672 168.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -149.07 146.31 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.929 1.292 . . . . 0.0 109.797 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -140.26 132.74 28.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.263 1.025 . . . . 0.0 112.303 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.73 141.24 58.41 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.773 1.229 . . . . 0.0 113.47 -176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -82.78 -25.72 32.5 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.813 0.845 . . . . 0.0 112.613 175.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -80.72 -57.39 3.58 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 119.164 0.893 . . . . 0.0 112.124 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -99.31 -14.22 19.32 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.04 -0.55 87.62 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.788 1.185 . . . . 0.0 114.811 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -91.1 152.75 20.49 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.078 1.439 . . . . 0.0 113.516 -174.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -69.09 167.51 15.9 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.871 2.068 . . . . 0.0 115.58 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.84 4.5 88.34 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.641 1.591 . . . . 0.0 115.972 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.6 p-80 -158.18 177.3 11.44 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.931 1.366 . . . . 0.0 113.239 -176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -127.15 158.58 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 127.312 2.245 . . . . 0.0 109.79 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.1 -25.34 63.72 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.4 tttt -65.19 -32.08 73.58 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.896 1.278 . . . . 0.0 112.953 172.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -97.8 -19.06 18.4 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 127.212 2.205 . . . . 0.0 112.096 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.2 152.19 17.64 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 126.164 1.786 . . . . 0.0 114.526 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -115.47 -1.08 12.9 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.504 1.922 . . . . 0.0 114.119 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.96 156.89 91.43 Favored Pre-proline 0 CA--C 1.549 0.925 0 CA-C-N 119.337 0.971 . . . . 0.0 111.566 176.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -63.94 140.32 72.28 Favored 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.896 2.397 . . . . 0.0 110.872 176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -96.4 138.7 33.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.636 1.175 . . . . 0.0 111.494 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -71.8 174.4 6.93 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 126.086 1.754 . . . . 0.0 114.342 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -86.98 23.1 1.84 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.205 1.402 . . . . 0.0 113.173 173.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.34 -177.92 42.93 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.236 1.398 . . . . 0.0 114.475 -174.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.4 t -61.89 140.75 58.26 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 127.084 2.154 . . . . 0.0 113.52 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.1 m0 -87.08 -22.03 25.67 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -81.43 -36.76 29.07 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.814 1.246 . . . . 0.0 112.55 -175.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.9 p -116.03 -20.77 9.77 Favored 'General case' 0 N--CA 1.484 1.253 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 171.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.27 -11.79 69.94 Favored Glycine 0 N--CA 1.474 1.2 0 C-N-CA 124.39 0.995 . . . . 0.0 114.853 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -82.76 157.36 23.28 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 119.178 1.489 . . . . 0.0 112.343 -176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.86 172.39 12.18 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.25 1.42 . . . . 0.0 113.901 -174.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.54 5.22 88.65 Favored Glycine 0 CA--C 1.532 1.133 0 N-CA-C 117.103 1.601 . . . . 0.0 117.103 168.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -157.21 163.76 38.48 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.562 1.681 . . . . 0.0 113.212 -176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -101.62 148.94 24.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.062 1.345 . . . . 0.0 109.525 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.3 ptt? -64.29 -16.54 62.34 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -169.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.3 pttt -67.78 -21.61 65.23 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 119.93 1.241 . . . . 0.0 113.998 169.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.55 -8.23 58.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.356 1.062 . . . . 0.0 112.313 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.9 t -101.18 140.31 35.66 Favored 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.218 1.407 . . . . 0.0 114.029 -169.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.3 p -87.74 -72.12 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.859 1.664 . . . . 0.0 111.212 -178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -155.65 161.53 40.77 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.836 1.655 . . . . 0.0 113.397 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 62.7 mtp85 -70.79 164.25 25.6 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.29 1.436 . . . . 0.0 112.498 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -86.33 -148.35 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 167.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.28 27.26 0.15 Allowed 'General case' 0 CA--C 1.552 1.04 0 O-C-N 120.35 -1.469 . . . . 0.0 112.578 169.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 127.168 2.187 . . . . 0.0 114.058 -169.261 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 50.2 pt . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.23 -0.414 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 78.39 160.53 0.2 Allowed 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.651 2.38 . . . . 0.0 111.832 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -58.64 -27.11 64.42 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.926 1.29 . . . . 0.0 113.523 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.06 177.52 44.72 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 126.185 1.85 . . . . 0.0 112.732 175.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -73.79 -8.44 56.04 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 114.156 1.169 . . . . 0.0 114.156 -178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -67.97 175.12 3.26 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.497 1.919 . . . . 0.0 113.223 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -51.77 -53.71 36.73 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.795 1.238 . . . . 0.0 112.4 171.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.8 t30 66.3 -40.97 0.36 Allowed 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.766 2.826 . . . . 0.0 116.327 169.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -139.28 -41.22 0.46 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 127.686 2.394 . . . . 0.0 110.647 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -76.9 113.78 14.96 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.43 1.092 . . . . 0.0 110.814 -174.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 68.24 -32.76 0.22 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 128.151 2.58 . . . . 0.0 115.127 -178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -139.2 136.34 34.93 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.42 1.888 . . . . 0.0 109.167 179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 p -96.97 150.32 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.331 1.453 . . . . 0.0 110.563 177.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 39.3 tttp -135.85 131.98 36.03 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.052 0.941 . . . . 0.0 113.117 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.2 t -65.2 141.83 58.52 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.038 1.335 . . . . 0.0 113.201 -179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -87.83 -21.23 25.16 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.948 0.899 . . . . 0.0 112.694 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -83.73 -64.76 1.11 Allowed 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.877 0.871 . . . . 0.0 111.794 -178.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 p -91.09 -17.95 25.34 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.57 -1.01 75.01 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.032 1.301 . . . . 0.0 115.004 174.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.67 146.63 24.97 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 120.003 1.901 . . . . 0.0 113.278 -175.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -62.0 164.86 6.1 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.807 2.043 . . . . 0.0 114.888 171.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 87.77 0.23 83.99 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.555 1.55 . . . . 0.0 115.175 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -159.87 175.8 12.65 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.861 1.33 . . . . 0.0 113.081 -177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 45.0 pt -123.21 158.37 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 127.126 2.171 . . . . 0.0 109.94 176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.89 -26.85 64.67 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -65.56 -33.83 76.83 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.475 1.11 . . . . 0.0 112.628 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -89.94 -25.11 21.09 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.761 2.025 . . . . 0.0 111.774 177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.7 t -59.18 148.64 30.82 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.648 1.579 . . . . 0.0 113.318 174.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -128.81 10.53 6.01 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.677 1.591 . . . . 0.0 112.544 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.06 158.63 85.99 Favored Pre-proline 0 CA--C 1.551 0.998 0 C-N-CA 123.906 0.882 . . . . 0.0 111.168 170.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.82 141.37 89.87 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.681 2.254 . . . . 0.0 110.827 175.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 85.6 mtt-85 -98.69 140.05 33.48 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.251 1.02 . . . . 0.0 111.745 -172.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.51 165.02 3.99 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.523 1.529 . . . . 0.0 114.147 -175.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -80.75 23.49 0.53 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.764 1.225 . . . . 0.0 113.784 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.94 -177.64 47.66 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.226 1.393 . . . . 0.0 114.617 -176.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 37.5 t -59.14 136.98 58.12 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 127.384 2.274 . . . . 0.0 113.61 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.8 m0 -82.82 -13.44 56.2 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -99.21 -30.38 12.3 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 124.713 1.205 . . . . 0.0 113.8 -173.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.7 p -119.03 -22.92 7.04 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 115.371 1.619 . . . . 0.0 115.371 169.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.69 -18.1 55.54 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 125.088 1.328 . . . . 0.0 115.059 178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.42 160.54 28.65 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.689 1.745 . . . . 0.0 114.601 -176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.84 170.16 16.01 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.999 2.12 . . . . 0.0 113.566 -174.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.22 6.0 88.97 Favored Glycine 0 CA--C 1.532 1.119 0 N-CA-C 117.128 1.611 . . . . 0.0 117.128 167.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -155.42 163.79 39.59 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 119.601 1.7 . . . . 0.0 113.316 -176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -102.27 152.31 21.21 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 125.455 1.502 . . . . 0.0 109.988 172.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ptt? -66.44 -12.33 56.63 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -172.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.1 pttt -81.13 -23.07 38.59 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 168.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -79.46 -24.71 42.22 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.61 0.764 . . . . 0.0 110.805 169.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.5 t -73.52 175.29 7.18 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.006 1.723 . . . . 0.0 114.111 171.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 25.7 p -139.41 -81.77 0.29 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.406 1.882 . . . . 0.0 110.076 -177.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -120.32 159.69 24.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.826 2.05 . . . . 0.0 111.9 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -57.73 136.08 56.85 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.975 0.731 . . . . 0.0 112.975 -175.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -96.14 -7.01 37.03 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.594 -173.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -150.22 155.91 40.61 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.011 1.325 . . . . 0.0 112.111 -178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.252 1.186 0 C-N-CA 125.724 1.609 . . . . 0.0 112.078 176.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.5 tt . . . . . 0 N--CA 1.492 1.665 0 CA-C-O 119.924 -0.084 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -154.4 162.75 40.99 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.144 1.378 . . . . 0.0 110.608 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -63.76 158.75 20.92 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.78 1.86 88.83 Favored Glycine 0 N--CA 1.475 1.269 0 C-N-CA 125.133 1.349 . . . . 0.0 114.976 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -95.99 5.4 51.28 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 125.559 1.544 . . . . 0.0 114.141 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -79.09 -162.13 0.37 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.595 1.558 . . . . 0.0 111.625 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.1 mmt180 -72.28 7.23 1.83 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.689 1.195 . . . . 0.0 113.834 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.74 8.43 0.26 Allowed 'General case' 0 CA--C 1.549 0.934 0 C-N-CA 127.81 2.444 . . . . 0.0 116.295 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -122.65 3.9 9.55 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.796 1.238 . . . . 0.0 112.471 172.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -140.9 -71.31 0.36 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.998 1.319 . . . . 0.0 111.741 -173.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -87.9 -28.4 21.57 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -133.35 -175.63 3.87 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 126.73 2.012 . . . . 0.0 110.037 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -146.09 143.23 21.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 C-N-CA 125.581 1.553 . . . . 0.0 108.227 169.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -147.03 128.47 14.96 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.871 0.869 . . . . 0.0 111.941 -169.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 43.1 t -63.93 138.33 58.42 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.696 1.198 . . . . 0.0 113.42 -173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.5 m-30 -81.23 -23.7 37.89 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.534 176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -82.59 -64.25 1.21 Allowed 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.02 0.928 . . . . 0.0 111.924 -177.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 p -92.1 -17.06 25.51 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 93.26 -4.9 74.54 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.356 1.455 . . . . 0.0 115.218 174.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -89.15 149.65 23.06 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.768 1.784 . . . . 0.0 113.293 -172.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.8 mp0 -64.84 167.91 6.96 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.165 2.186 . . . . 0.0 115.078 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.78 2.67 90.61 Favored Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.252 1.406 . . . . 0.0 115.609 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -159.88 176.79 11.48 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-N 118.976 1.388 . . . . 0.0 113.392 -176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -125.93 157.84 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 127.228 2.211 . . . . 0.0 110.005 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.09 -25.42 63.78 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -176.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -65.59 -34.4 78.14 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.768 1.227 . . . . 0.0 112.721 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -93.2 -23.83 18.42 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 126.87 2.068 . . . . 0.0 111.994 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 35.8 t -53.04 148.35 8.07 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.273 1.829 . . . . 0.0 114.29 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -112.79 -1.66 14.62 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.157 1.783 . . . . 0.0 113.185 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.15 157.81 89.44 Favored Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 119.413 1.006 . . . . 0.0 111.688 177.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.71 144.16 88.51 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.822 2.348 . . . . 0.0 110.977 175.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 91.4 mtt180 -100.5 136.58 40.16 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.667 1.187 . . . . 0.0 111.402 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -69.64 173.22 6.32 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.055 1.742 . . . . 0.0 114.224 -169.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -85.13 26.43 0.87 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 125.066 1.347 . . . . 0.0 113.145 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.51 -177.24 47.03 Favored Glycine 0 N--CA 1.468 0.815 0 O-C-N 120.879 -1.138 . . . . 0.0 114.932 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.5 t -61.59 137.03 58.22 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 126.7 2.0 . . . . 0.0 113.566 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -82.01 -22.85 36.29 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.248 0.832 . . . . 0.0 113.248 172.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -85.51 -30.93 23.04 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.931 0.893 . . . . 0.0 113.33 -174.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.7 p -123.98 -20.35 5.39 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 116.515 2.042 . . . . 0.0 116.515 173.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.28 -13.1 66.19 Favored Glycine 0 CA--C 1.533 1.17 0 CA-C-O 118.502 -1.166 . . . . 0.0 115.713 176.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -78.95 155.14 29.08 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.088 1.944 . . . . 0.0 112.856 179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -81.53 175.17 10.74 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.817 1.647 . . . . 0.0 113.413 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.48 4.49 90.4 Favored Glycine 0 CA--C 1.532 1.107 0 N-CA-C 116.362 1.305 . . . . 0.0 116.362 168.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -155.39 160.28 40.55 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 119.263 1.531 . . . . 0.0 113.192 -176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -97.67 149.65 22.04 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.795 1.238 . . . . 0.0 109.263 169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.6 ptt? -64.54 -14.45 57.55 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 116.117 1.895 . . . . 0.0 116.117 -169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -73.89 -21.89 59.91 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 169.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -82.43 -11.75 58.33 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.172 0.989 . . . . 0.0 112.237 173.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.3 t -97.95 136.52 38.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.815 2.046 . . . . 0.0 113.025 -171.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 29.3 p -92.19 -35.61 13.73 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 125.053 1.341 . . . . 0.0 114.469 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -72.71 155.86 39.54 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.0 0.92 . . . . 0.0 112.632 -176.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -118.42 157.5 27.07 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.55 1.14 . . . . 0.0 113.188 -169.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -78.65 -30.41 46.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.382 1.073 . . . . 0.0 112.724 173.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -121.28 154.9 35.75 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.168 1.387 . . . . 0.0 111.779 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 . . . . . 0 C--O 1.251 1.162 0 C-N-CA 125.989 1.716 . . . . 0.0 112.156 -177.516 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.7 tp . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -131.57 160.91 33.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.948 1.299 . . . . 0.0 110.334 -175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -81.28 58.62 3.64 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 124.625 1.17 . . . . 0.0 112.423 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.51 -120.07 10.97 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.934 1.254 . . . . 0.0 111.675 175.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -66.51 -23.03 66.18 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.954 0.902 . . . . 0.0 113.405 177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -102.85 145.98 28.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.065 1.346 . . . . 0.0 111.733 -176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 26.2 mmt85 -84.91 127.95 34.4 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 123.537 0.735 . . . . 0.0 110.935 172.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -76.64 47.68 0.51 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.056 2.142 . . . . 0.0 112.306 171.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 67.15 7.94 5.82 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.164 2.185 . . . . 0.0 113.472 -173.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -73.65 99.5 3.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.235 1.014 . . . . 0.0 110.18 177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.4 tttm 70.54 -43.48 0.55 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 129.241 3.016 . . . . 0.0 113.515 -174.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.3 m -132.7 167.72 19.61 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 128.287 2.635 . . . . 0.0 108.184 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.3 p -131.98 145.68 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 125.144 1.378 . . . . 0.0 109.522 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttt -132.33 128.99 38.89 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.788 0.835 . . . . 0.0 112.426 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 39.3 t -67.22 137.13 55.96 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.114 0.966 . . . . 0.0 112.922 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -81.05 -23.96 38.18 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 123.823 0.849 . . . . 0.0 112.351 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -79.24 -63.68 1.36 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 119.045 0.839 . . . . 0.0 111.739 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.4 p -95.56 -16.49 22.11 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 90.23 -6.06 82.65 Favored Glycine 0 CA--C 1.53 1.017 0 C-N-CA 125.078 1.323 . . . . 0.0 114.893 176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.39 153.9 24.29 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.676 1.738 . . . . 0.0 113.166 -175.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.68 168.66 12.72 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 126.856 2.062 . . . . 0.0 115.317 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 79.11 1.33 85.28 Favored Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.763 1.649 . . . . 0.0 116.113 168.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.38 176.91 11.97 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 118.885 1.342 . . . . 0.0 112.977 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.5 pt -124.98 158.14 32.97 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.993 2.117 . . . . 0.0 109.632 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.01 -27.47 65.47 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -64.31 -31.16 72.25 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.631 1.173 . . . . 0.0 112.964 173.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -97.35 -19.9 18.2 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 126.927 2.091 . . . . 0.0 112.158 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 36.7 t -56.6 148.58 19.46 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 126.04 1.736 . . . . 0.0 114.335 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -115.97 -0.84 12.67 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.263 1.825 . . . . 0.0 113.243 177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.32 158.7 86.34 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 124.149 0.98 . . . . 0.0 111.706 177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -62.93 145.5 94.49 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.785 2.323 . . . . 0.0 110.822 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 89.3 mtt-85 -99.13 136.74 38.66 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.333 1.053 . . . . 0.0 111.402 -172.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.29 166.52 2.93 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.575 1.55 . . . . 0.0 114.474 -174.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.17 21.53 0.72 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.035 1.334 . . . . 0.0 113.85 177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.58 -175.25 45.5 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 125.493 1.52 . . . . 0.0 114.232 -177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.6 t -58.81 140.65 54.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.964 2.106 . . . . 0.0 113.959 -176.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -87.71 -16.66 33.67 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.014 0.926 . . . . 0.0 113.295 172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -94.4 -29.85 14.78 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.55 1.54 . . . . 0.0 113.152 -173.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.6 p -122.83 -30.84 3.77 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.417 1.636 . . . . 0.0 115.417 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.18 -14.28 48.13 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 124.882 1.229 . . . . 0.0 115.58 -178.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -75.85 155.5 35.28 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-N 119.861 1.83 . . . . 0.0 112.925 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -82.63 176.36 9.42 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.521 1.528 . . . . 0.0 112.895 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.74 1.12 85.55 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 116.483 1.353 . . . . 0.0 116.483 168.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 51.8 p-80 -156.38 162.49 40.04 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 119.187 1.494 . . . . 0.0 113.137 -175.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -100.22 148.39 24.68 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.117 1.367 . . . . 0.0 109.442 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 ptt? -65.7 -15.05 62.44 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.464 2.024 . . . . 0.0 116.464 -169.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -68.02 -22.24 64.99 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 119.832 1.196 . . . . 0.0 113.76 169.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -85.48 -6.54 59.19 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 124.345 1.058 . . . . 0.0 112.259 171.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 22.3 t -105.52 157.37 17.42 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.162 1.385 . . . . 0.0 114.576 -169.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.9 p -139.99 -52.88 0.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 127.566 2.346 . . . . 0.0 109.7 177.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -148.89 172.56 14.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.82 2.448 . . . . 0.0 111.57 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -52.37 -25.25 9.31 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -178.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -80.93 -6.57 58.86 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.609 1.164 . . . . 0.0 113.827 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.23 -15.43 62.45 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.753 1.621 . . . . 0.0 111.431 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.524 0.202 . . . . 0.0 110.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.91 -29.11 66.21 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.777 0.831 . . . . 0.0 112.712 -176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -69.27 -12.26 61.52 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.865 1.266 . . . . 0.0 113.876 177.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.63 -175.98 42.61 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.212 1.387 . . . . 0.0 111.858 -169.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -59.27 149.25 29.24 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -174.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -75.51 165.86 24.46 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.618 1.167 . . . . 0.0 111.469 174.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -75.98 34.2 0.13 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.663 1.585 . . . . 0.0 114.057 177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 50.5 p30 -69.41 6.54 1.02 Allowed 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 116.595 2.072 . . . . 0.0 116.595 -169.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -117.5 -11.69 10.47 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.923 1.289 . . . . 0.0 112.527 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -95.01 81.12 3.67 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.256 1.422 . . . . 0.0 109.915 -177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 61.6 tttm 72.44 -50.15 0.7 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 128.412 2.685 . . . . 0.0 113.67 178.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 t -83.31 178.97 7.82 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.691 1.597 . . . . 0.0 111.232 171.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.4 142.32 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 127.377 2.271 . . . . 0.0 109.517 -175.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -127.32 132.17 50.3 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.787 1.235 . . . . 0.0 112.324 -178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.0 t -59.86 136.86 58.13 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.776 1.63 . . . . 0.0 113.552 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -79.7 -27.29 40.71 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.732 0.813 . . . . 0.0 112.674 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -81.34 -54.46 5.46 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.114 0.87 . . . . 0.0 111.984 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -106.31 -4.11 20.43 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 115.13 1.53 . . . . 0.0 115.13 -174.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 83.04 8.47 85.64 Favored Glycine 0 N--CA 1.472 1.09 0 C-N-CA 125.063 1.316 . . . . 0.0 116.316 168.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.7 mttp -106.68 147.47 29.53 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 119.076 1.438 . . . . 0.0 113.663 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.96 163.6 11.85 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.473 1.909 . . . . 0.0 115.129 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.07 89.37 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 125.567 1.556 . . . . 0.0 115.361 169.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 36.3 p-80 -157.75 174.46 15.27 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-N 118.844 1.322 . . . . 0.0 113.294 -178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 43.1 pt -124.98 159.73 31.29 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 127.321 2.248 . . . . 0.0 109.704 176.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -25.62 64.18 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -65.57 -33.14 75.23 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.645 1.178 . . . . 0.0 112.947 172.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -91.32 -26.6 18.86 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 126.935 2.094 . . . . 0.0 111.464 178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.7 t -56.01 150.59 13.36 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.788 1.635 . . . . 0.0 114.296 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtm-85 -122.66 4.72 9.52 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.704 2.002 . . . . 0.0 112.733 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.18 157.14 90.09 Favored Pre-proline 0 CA--C 1.551 1.002 0 C-N-CA 124.104 0.962 . . . . 0.0 111.405 172.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -64.21 142.92 82.05 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.92 2.413 . . . . 0.0 111.25 178.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.7 mtt-85 -98.91 135.43 40.35 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.698 1.199 . . . . 0.0 110.657 -175.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -68.36 178.75 1.84 Allowed 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.516 1.526 . . . . 0.0 114.035 -173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.3 tttt -89.47 19.79 4.29 Favored 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.855 1.262 . . . . 0.0 112.324 168.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -164.6 171.8 40.17 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 125.463 1.506 . . . . 0.0 115.146 -171.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 40.7 t -62.53 139.65 58.61 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 127.647 2.379 . . . . 0.0 113.787 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 5.9 m0 -86.83 -16.3 36.59 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.589 0.756 . . . . 0.0 112.999 172.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -89.9 -36.77 14.85 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.246 1.419 . . . . 0.0 113.106 -174.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -116.34 -21.35 9.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 170.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.2 -15.59 60.18 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 124.807 1.194 . . . . 0.0 115.2 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -80.65 156.8 26.18 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 119.626 1.713 . . . . 0.0 113.604 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -78.49 167.11 21.79 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -170.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.51 9.87 86.59 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 118.076 1.991 . . . . 0.0 118.076 166.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -151.33 159.29 44.37 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 120.189 1.994 . . . . 0.0 113.677 -178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -96.61 147.21 24.12 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.982 1.313 . . . . 0.0 110.302 172.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.5 ptt? -69.29 -10.39 57.61 Favored 'General case' 0 CA--C 1.543 0.697 0 N-CA-C 116.17 1.915 . . . . 0.0 116.17 -170.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.0 pttt -78.09 -23.92 47.76 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.793 1.178 . . . . 0.0 113.745 169.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -78.28 -24.97 46.52 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.742 0.701 . . . . 0.0 111.208 169.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.6 t -80.37 116.23 20.32 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.55 1.54 . . . . 0.0 112.639 179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p -79.67 -66.1 0.92 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.719 1.208 . . . . 0.0 109.613 174.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -151.62 158.5 43.58 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.802 2.441 . . . . 0.0 110.689 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -69.11 107.3 3.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.847 -0.533 . . . . 0.0 110.834 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -82.47 166.88 18.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.576 1.15 . . . . 0.0 110.755 171.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.47 -11.75 58.63 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 177.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.111 0 C-N-CA 126.321 1.848 . . . . 0.0 111.699 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.6 tp . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 119.931 -0.08 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -139.14 158.79 43.55 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.366 1.466 . . . . 0.0 109.683 173.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.65 -25.61 67.43 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 160.84 13.72 Favored Glycine 0 N--CA 1.475 1.248 0 C-N-CA 126.005 1.764 . . . . 0.0 113.063 174.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 24.1 t30 -69.76 -40.35 76.14 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.034 0.934 . . . . 0.0 112.921 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -93.74 -165.42 1.32 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.948 1.699 . . . . 0.0 110.367 177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -58.08 126.86 29.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.269 -0.895 . . . . 0.0 109.4 168.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -148.87 -25.44 0.31 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.709 1.204 . . . . 0.0 112.648 -176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -136.32 -37.07 0.71 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.48 1.512 . . . . 0.0 110.669 177.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.7 ttt-85 -84.53 119.73 25.51 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.622 1.569 . . . . 0.0 110.774 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 66.83 -34.78 0.23 Allowed 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 128.932 2.893 . . . . 0.0 116.108 175.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 m -143.66 140.67 30.2 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 126.046 1.738 . . . . 0.0 109.2 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.6 p -98.61 147.43 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 125.067 1.347 . . . . 0.0 110.063 177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -140.53 131.36 25.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.945 0.898 . . . . 0.0 112.979 -173.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.6 139.27 58.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.641 1.576 . . . . 0.0 114.068 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 17.8 m-30 -82.86 -27.55 30.7 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.205 1.002 . . . . 0.0 112.594 172.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -78.24 -55.72 5.03 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 118.924 0.784 . . . . 0.0 111.73 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -109.56 -3.53 16.86 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 114.939 1.459 . . . . 0.0 114.939 -174.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.1 9.2 82.7 Favored Glycine 0 N--CA 1.473 1.122 0 N-CA-C 116.238 1.255 . . . . 0.0 116.238 168.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.8 mttp -107.82 146.23 32.53 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.55 1.675 . . . . 0.0 113.879 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.49 161.29 14.71 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.671 1.988 . . . . 0.0 115.111 175.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.0 4.01 84.84 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.498 1.523 . . . . 0.0 115.276 169.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -160.33 173.77 15.17 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.036 1.334 . . . . 0.0 112.382 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.7 pt -127.49 160.24 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 125.857 1.663 . . . . 0.0 110.072 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.95 -27.03 60.72 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 -176.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -61.75 -35.79 79.14 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.634 1.174 . . . . 0.0 113.582 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 37.2 p30 -114.52 6.53 15.89 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 125.493 1.517 . . . . 0.0 114.022 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 54.0 t -58.47 149.23 25.72 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 126.214 1.806 . . . . 0.0 113.263 169.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 47.0 ttp180 -105.05 -10.53 17.13 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.777 1.631 . . . . 0.0 113.488 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.52 157.37 84.48 Favored Pre-proline 0 CA--C 1.55 0.959 0 O-C-N 120.947 -1.096 . . . . 0.0 112.24 -177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.14 149.39 88.99 Favored 'Trans proline' 0 C--N 1.351 0.71 0 C-N-CA 122.964 2.443 . . . . 0.0 110.851 172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.7 mtt-85 -98.06 140.17 32.79 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.267 1.027 . . . . 0.0 111.912 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.11 168.89 3.02 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.491 1.516 . . . . 0.0 114.366 -176.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -82.74 22.09 0.94 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.025 1.33 . . . . 0.0 113.937 177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -178.38 -177.54 47.14 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 125.148 1.356 . . . . 0.0 114.614 -176.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 38.2 t -57.99 137.54 56.72 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 127.359 2.264 . . . . 0.0 113.451 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.0 m0 -83.25 -16.82 44.89 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 174.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -94.36 -34.55 12.75 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.332 1.053 . . . . 0.0 113.803 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.5 p -115.18 -22.01 9.67 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 115.427 1.64 . . . . 0.0 115.427 170.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.21 -17.07 58.48 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.944 1.259 . . . . 0.0 115.085 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -77.34 160.36 28.87 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.642 1.721 . . . . 0.0 114.657 -176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.09 170.5 15.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.982 2.113 . . . . 0.0 113.467 -174.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.83 5.15 88.64 Favored Glycine 0 CA--C 1.531 1.086 0 N-CA-C 117.024 1.57 . . . . 0.0 117.024 167.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -154.04 160.2 41.91 Favored 'General case' 0 CA--C 1.55 0.965 0 CA-C-N 119.572 1.686 . . . . 0.0 113.483 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -95.55 152.38 18.48 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.162 1.385 . . . . 0.0 109.819 170.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -67.0 -9.17 35.94 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 115.734 1.753 . . . . 0.0 115.734 -171.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -84.53 -25.67 28.6 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.496 1.044 . . . . 0.0 113.754 168.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -76.64 -21.0 56.08 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.977 0.911 . . . . 0.0 111.196 170.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.7 t -71.15 73.36 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.667 1.987 . . . . 0.0 111.67 169.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.1 p -71.3 -68.7 0.42 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.296 1.438 . . . . 0.0 110.535 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -112.77 159.69 18.72 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.231 1.813 . . . . 0.0 112.327 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.3 mtm-85 -126.75 148.83 49.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 126.192 1.797 . . . . 0.0 109.763 172.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -133.87 152.31 51.82 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.85 1.26 . . . . 0.0 110.802 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.55 160.94 21.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.425 1.09 . . . . 0.0 112.798 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.252 1.204 0 C-N-CA 125.586 1.555 . . . . 0.0 111.482 175.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 119.676 -0.202 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -157.58 164.53 37.2 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.896 1.278 . . . . 0.0 111.223 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -56.3 -38.72 71.64 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.906 1.282 . . . . 0.0 113.738 -176.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.8 1.49 78.34 Favored Glycine 0 CA--C 1.534 1.236 0 C-N-CA 125.706 1.622 . . . . 0.0 115.034 -177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -64.07 -34.02 77.09 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 119.041 1.42 . . . . 0.0 113.226 177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -98.42 151.61 20.39 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.528 1.131 . . . . 0.0 112.845 -170.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -77.97 110.72 13.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.096 0.958 . . . . 0.0 110.192 171.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -122.05 -0.27 9.51 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.281 1.432 . . . . 0.0 113.661 175.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -147.32 -56.17 0.24 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.74 1.616 . . . . 0.0 110.435 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -75.64 120.26 20.8 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.676 0.79 . . . . 0.0 110.226 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 84.3 tttt 69.28 -41.07 0.47 Allowed 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 128.225 2.61 . . . . 0.0 114.642 178.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.7 m -136.96 142.37 42.61 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 126.518 1.927 . . . . 0.0 109.422 -176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.88 145.65 13.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.718 1.607 . . . . 0.0 110.148 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -126.93 131.72 51.04 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.715 1.206 . . . . 0.0 112.154 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.88 141.22 58.77 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 125.564 1.546 . . . . 0.0 113.534 176.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -85.14 -22.67 28.73 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.747 0.819 . . . . 0.0 112.872 174.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -77.89 -57.69 3.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.191 0.905 . . . . 0.0 111.776 -178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.7 p -102.18 -12.21 18.21 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.61 6.91 82.68 Favored Glycine 0 N--CA 1.473 1.137 0 C-N-CA 124.564 1.078 . . . . 0.0 114.859 174.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -101.69 150.1 23.47 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 118.93 1.365 . . . . 0.0 113.532 -173.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -67.51 166.77 14.11 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.64 1.976 . . . . 0.0 115.71 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.08 1.16 89.71 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.781 1.658 . . . . 0.0 115.819 168.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 34.3 p-80 -159.68 175.94 12.59 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.831 1.252 . . . . 0.0 112.219 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.3 pt -129.24 160.43 40.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 125.686 1.594 . . . . 0.0 110.22 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.18 -24.51 54.91 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 114.39 1.255 . . . . 0.0 114.39 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -61.78 -39.73 92.69 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.269 1.427 . . . . 0.0 113.374 174.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -111.91 2.5 17.01 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 125.547 1.539 . . . . 0.0 113.971 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -52.51 149.39 5.86 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 126.303 1.841 . . . . 0.0 113.327 169.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -112.51 -2.97 14.5 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.856 1.662 . . . . 0.0 113.287 178.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.37 158.45 76.56 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-N 119.331 0.969 . . . . 0.0 111.437 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.93 142.82 77.01 Favored 'Trans proline' 0 C--N 1.35 0.645 0 C-N-CA 122.622 2.215 . . . . 0.0 110.73 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -92.66 139.76 30.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.426 1.09 . . . . 0.0 111.571 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -61.95 170.5 2.1 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.837 1.655 . . . . 0.0 114.141 -176.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -86.38 20.18 2.5 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.769 1.228 . . . . 0.0 113.405 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -169.22 -179.47 41.2 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 125.283 1.42 . . . . 0.0 114.558 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.4 t -62.55 140.17 58.63 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 126.819 2.048 . . . . 0.0 113.974 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -86.56 -18.2 32.09 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -90.57 -37.8 13.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 -176.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.1 p -120.3 -21.4 6.93 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 116.057 1.873 . . . . 0.0 116.057 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 95.5 -9.64 69.14 Favored Glycine 0 CA--C 1.534 1.246 0 CA-C-O 118.27 -1.294 . . . . 0.0 115.969 175.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.8 mppt? -73.65 155.57 38.88 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 120.295 2.047 . . . . 0.0 112.611 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -73.52 163.16 28.41 Favored 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 115.34 1.607 . . . . 0.0 115.34 -169.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.04 -55.24 3.91 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.102 1.81 . . . . 0.0 116.39 168.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -77.83 155.75 30.87 Favored 'General case' 0 CA--C 1.552 1.051 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -88.77 145.71 25.44 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.342 1.057 . . . . 0.0 110.132 170.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.9 ptt? -68.94 -8.43 44.3 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -169.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -82.11 -25.52 34.38 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 119.565 1.075 . . . . 0.0 113.802 168.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -78.51 -26.51 45.91 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.63 0.772 . . . . 0.0 111.088 171.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -67.32 126.51 29.49 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 126.222 1.809 . . . . 0.0 113.423 174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.9 m -83.68 -34.94 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.164 1.385 . . . . 0.0 113.491 -173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.85 154.08 28.64 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.973 0.909 . . . . 0.0 113.261 -171.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -93.1 171.57 8.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.025 1.33 . . . . 0.0 113.421 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -76.58 162.1 28.05 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 123.862 0.865 . . . . 0.0 109.946 168.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.4 160.3 42.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.475 1.11 . . . . 0.0 112.59 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.251 1.179 0 C-N-CA 126.358 1.863 . . . . 0.0 110.968 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' 1HF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_