data_1aze_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 1aze _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.544 0.979 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 CA--C 1.542 0.917 0 N-CA-C 114.141 0.785 . . . . 0.0 114.141 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.542 0.915 0 N-CA-C 113.499 0.538 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.545 1.044 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 119.272 -0.387 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.544 0.995 0 N-CA-C 110.716 -0.532 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 CA-C-O 118.765 -0.598 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.543 0.966 0 N-CA-C 110.252 -0.711 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.543 0.948 0 N-CA-C 110.665 -0.552 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 CA--C 1.544 1.016 0 N-CA-C 113.511 0.543 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -62.82 -35.69 80.76 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 126.284 1.834 . . . . 0.0 108.536 178.479 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.89 157.98 31.1 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.678 2.919 . . . . 0.0 111.631 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.59 119.45 6.46 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.937 3.091 . . . . 0.0 109.873 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -57.78 143.45 42.05 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.354 1.462 . . . . 0.0 110.15 -177.138 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -56.31 159.93 11.98 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.087 3.192 . . . . 0.0 114.468 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -52.3 158.76 5.0 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.715 3.61 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm -63.36 -80.36 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.154 174.24 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.95 157.42 16.73 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.231 3.287 . . . . 0.0 113.669 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.54 159.47 13.51 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.856 3.037 . . . . 0.0 113.499 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt 52.96 83.55 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.272 1.029 . . . . 0.0 109.032 -177.588 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.77 166.57 29.02 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 123.53 2.82 . . . . 0.0 111.502 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.57 155.42 26.25 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.625 2.883 . . . . 0.0 113.561 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.82 94.62 0.32 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.547 1.539 . . . . 0.0 110.524 -175.528 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.75 166.56 29.05 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.426 2.751 . . . . 0.0 111.828 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.33 140.8 72.83 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.678 2.919 . . . . 0.0 112.96 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt -81.72 -40.1 23.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 109.55 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.58 148.88 41.97 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.06 3.173 . . . . 0.0 113.108 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.55 114.87 3.26 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.175 3.25 . . . . 0.0 110.716 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 45.03 74.09 0.14 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.477 1.511 . . . . 0.0 110.351 -175.644 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -56.6 160.22 12.1 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.023 3.149 . . . . 0.0 113.505 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.24 123.46 11.13 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.221 3.281 . . . . 0.0 113.342 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm 60.73 58.95 2.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 125.881 1.672 . . . . 0.0 108.676 -169.799 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.58 150.04 36.93 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.049 3.166 . . . . 0.0 113.323 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.76 124.48 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.707 2.938 . . . . 0.0 110.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.5 -56.28 0.64 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.871 1.668 . . . . 0.0 108.958 170.44 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.09 155.9 47.27 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.352 2.701 . . . . 0.0 111.507 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.25 117.76 5.06 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.946 3.097 . . . . 0.0 110.665 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -66.47 -47.02 74.44 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.3 tttt . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.776 2.03 . . . . 0.0 108.739 169.293 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -75.06 168.39 24.9 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.554 2.836 . . . . 0.0 111.351 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.78 144.22 77.61 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.713 2.942 . . . . 0.0 113.511 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 52' ' ' TYR . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD2' HG13 ' A' ' 7' ' ' VAL . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.544 0.979 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 CA--C 1.542 0.917 0 N-CA-C 114.141 0.785 . . . . 0.0 114.141 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.542 0.915 0 N-CA-C 113.499 0.538 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.545 1.044 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 119.272 -0.387 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB2' ' CA ' ' A' ' 46' ' ' GLY . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 17' ' ' LEU . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.544 0.995 0 N-CA-C 110.716 -0.532 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 53' ' ' ILE . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 37' ' ' TYR . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 CA-C-O 118.765 -0.598 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.543 0.966 0 N-CA-C 110.252 -0.711 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 53' ' ' ILE . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 48' ' ' ILE . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.543 0.948 0 N-CA-C 110.665 -0.552 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 CA--C 1.544 1.016 0 N-CA-C 113.511 0.543 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 52' ' ' TYR . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD2' HG13 ' A' ' 7' ' ' VAL . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -62.82 -35.69 80.76 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 126.284 1.834 . . . . 0.0 108.536 178.479 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.89 157.98 31.1 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.678 2.919 . . . . 0.0 111.631 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.59 119.45 6.46 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.937 3.091 . . . . 0.0 109.873 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -57.78 143.45 42.05 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.354 1.462 . . . . 0.0 110.15 -177.138 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -56.31 159.93 11.98 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.087 3.192 . . . . 0.0 114.468 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -52.3 158.76 5.0 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.715 3.61 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm -63.36 -80.36 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.154 174.24 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.95 157.42 16.73 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.231 3.287 . . . . 0.0 113.669 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.54 159.47 13.51 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.856 3.037 . . . . 0.0 113.499 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt 52.96 83.55 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.272 1.029 . . . . 0.0 109.032 -177.588 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.77 166.57 29.02 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 123.53 2.82 . . . . 0.0 111.502 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.57 155.42 26.25 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.625 2.883 . . . . 0.0 113.561 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.82 94.62 0.32 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.547 1.539 . . . . 0.0 110.524 -175.528 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.75 166.56 29.05 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.426 2.751 . . . . 0.0 111.828 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.33 140.8 72.83 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.678 2.919 . . . . 0.0 112.96 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB2' ' CA ' ' A' ' 46' ' ' GLY . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 17' ' ' LEU . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt -81.72 -40.1 23.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 109.55 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.58 148.88 41.97 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.06 3.173 . . . . 0.0 113.108 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.55 114.87 3.26 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.175 3.25 . . . . 0.0 110.716 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 53' ' ' ILE . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 37' ' ' TYR . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 45.03 74.09 0.14 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.477 1.511 . . . . 0.0 110.351 -175.644 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -56.6 160.22 12.1 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.023 3.149 . . . . 0.0 113.505 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.24 123.46 11.13 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.221 3.281 . . . . 0.0 113.342 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm 60.73 58.95 2.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 125.881 1.672 . . . . 0.0 108.676 -169.799 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.58 150.04 36.93 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.049 3.166 . . . . 0.0 113.323 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.76 124.48 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.707 2.938 . . . . 0.0 110.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 53' ' ' ILE . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 48' ' ' ILE . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.5 -56.28 0.64 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.871 1.668 . . . . 0.0 108.958 170.44 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.09 155.9 47.27 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.352 2.701 . . . . 0.0 111.507 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.25 117.76 5.06 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.946 3.097 . . . . 0.0 110.665 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -66.47 -47.02 74.44 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.3 tttt . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.776 2.03 . . . . 0.0 108.739 169.293 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -75.06 168.39 24.9 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.554 2.836 . . . . 0.0 111.351 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.78 144.22 77.61 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.713 2.942 . . . . 0.0 113.511 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 52' ' ' TYR . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD2' HG13 ' A' ' 7' ' ' VAL . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo . . . . . 0 CA--C 1.544 0.979 0 N-CA-C 109.873 -0.856 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo . . . . . 0 CA--C 1.542 0.917 0 N-CA-C 114.141 0.785 . . . . 0.0 114.141 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm . . . . . 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 CA--C 1.542 0.915 0 N-CA-C 113.499 0.538 . . . . 0.0 113.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo . . . . . 0 CA--C 1.545 1.044 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp . . . . . 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo . . . . . 0 CA--C 1.54 0.812 0 CA-C-O 119.272 -0.387 . . . . 0.0 112.96 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB2' ' CA ' ' A' ' 46' ' ' GLY . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 17' ' ' LEU . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt . . . . . 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 CA--C 1.544 0.995 0 N-CA-C 110.716 -0.532 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 53' ' ' ILE . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 37' ' ' TYR . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo . . . . . 0 CA--C 1.545 1.068 0 CA-C-O 118.765 -0.598 . . . . 0.0 113.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm . . . . . 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo . . . . . 0 CA--C 1.543 0.966 0 N-CA-C 110.252 -0.711 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 53' ' ' ILE . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 48' ' ' ILE . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 CA--C 1.543 0.948 0 N-CA-C 110.665 -0.552 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? . . . . . 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 CA--C 1.544 1.016 0 N-CA-C 113.511 0.543 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 121.393 0.616 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -148.75 146.88 28.27 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.625 1.17 . . . . 0.0 110.845 171.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -145.27 150.74 37.2 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.666 1.186 . . . . 0.0 111.809 -169.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 4' ' ' ILE . 2.1 mp -88.71 126.83 41.84 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 C-N-CA 125.243 1.417 . . . . 0.0 109.197 -175.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.77 117.01 4.12 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.681 1.192 . . . . 0.0 110.837 173.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -89.79 -42.01 11.53 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.706 1.602 . . . . 0.0 110.511 -177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.432 HG13 ' CD2' ' A' ' 52' ' ' TYR . 2.4 p -126.46 146.7 31.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.636 0 C-N-CA 126.198 1.799 . . . . 0.0 109.53 170.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -72.37 128.43 35.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.281 1.432 . . . . 0.0 111.131 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -97.55 111.29 23.62 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.49 1.116 . . . . 0.0 109.111 172.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -99.79 88.8 3.9 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.441 1.497 . . . . 0.0 109.011 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.53 140.07 51.72 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.769 0.827 . . . . 0.0 112.404 -175.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.4 m -87.9 -55.8 3.61 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.934 1.294 . . . . 0.0 109.34 170.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.03 132.84 35.39 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.501 1.521 . . . . 0.0 111.132 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -80.59 67.77 6.57 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.78 1.232 . . . . 0.0 110.666 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -158.97 -44.52 0.06 Allowed 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 127.709 2.404 . . . . 0.0 109.345 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -71.57 119.62 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.906 1.282 . . . . 0.0 107.884 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -64.51 122.91 17.9 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.993 0.917 . . . . 0.0 111.032 -173.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.6 t -90.59 133.95 34.73 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.214 174.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -156.25 158.14 37.02 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.656 1.183 . . . . 0.0 111.198 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -106.8 150.3 26.48 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.329 1.452 . . . . 0.0 111.107 -178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -59.1 118.51 5.93 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.113 1.365 . . . . 0.0 110.885 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 120.29 -37.28 3.12 Favored Glycine 0 CA--C 1.537 1.428 0 C-N-CA 125.257 1.408 . . . . 0.0 112.989 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -54.62 148.39 12.61 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.617 1.567 . . . . 0.0 112.384 -176.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 67.7 mt -90.7 97.71 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 125.341 1.456 . . . . 0.0 108.198 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -89.97 101.85 14.56 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.751 1.221 . . . . 0.0 108.359 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.2 tttp -89.87 125.45 35.34 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.385 1.474 . . . . 0.0 109.784 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 52.8 t -89.24 133.95 29.93 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 123.642 0.777 . . . . 0.0 109.754 -171.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 74.2 mt -94.9 -54.64 3.39 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 125.296 1.439 . . . . 0.0 109.887 179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -150.24 98.02 2.62 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.607 0.763 . . . . 0.0 111.954 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -88.74 -19.24 26.33 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.916 1.286 . . . . 0.0 111.262 169.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -72.61 75.6 1.08 Allowed 'General case' 0 C--N 1.346 0.434 0 C-N-CA 126.89 2.076 . . . . 0.0 109.082 178.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.1 t -168.45 -57.67 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.152 2.181 . . . . 0.0 108.536 -169.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -160.75 148.09 15.67 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.541 1.537 . . . . 0.0 110.98 169.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 tp60 -69.59 -39.77 77.09 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.882 1.273 . . . . 0.0 112.23 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -55.02 -57.39 11.9 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 112.809 -175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 94.6 m95 -121.35 114.39 21.25 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.666 1.586 . . . . 0.0 110.412 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -89.86 137.69 32.12 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.531 1.533 . . . . 0.0 110.595 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 mtmm -89.85 111.97 23.16 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 173.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.86 175.86 9.21 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.018 1.327 . . . . 0.0 113.515 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -132.95 117.32 17.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 129.29 3.036 . . . . 0.0 108.341 -170.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 tt -71.04 -74.25 0.15 Allowed 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.981 0.912 . . . . 0.0 109.505 172.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -167.59 -59.31 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 128.857 2.863 . . . . 0.0 108.331 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -82.05 -34.67 23.39 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 125.906 1.717 . . . . 0.0 114.091 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -145.27 168.95 19.2 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.469 1.108 . . . . 0.0 112.523 -173.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -132.39 150.49 52.15 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.009 1.723 . . . . 0.0 111.519 -169.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.35 -161.47 31.45 Favored Glycine 0 CA--C 1.537 1.406 0 C-N-CA 123.561 0.6 . . . . 0.0 113.547 174.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -89.81 137.81 32.02 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.164 1.386 . . . . 0.0 111.542 -175.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 tt -131.08 126.88 21.8 Favored Pre-proline 0 CA--C 1.542 0.66 0 C-N-CA 126.459 1.904 . . . . 0.0 109.994 -172.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -61.19 136.43 64.59 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.932 2.421 . . . . 0.0 112.451 173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -51.35 -40.7 59.67 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.556 1.143 . . . . 0.0 113.011 169.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -67.23 -40.48 86.35 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.811 1.644 . . . . 0.0 112.947 -176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' CD2' HG13 ' A' ' 7' ' ' VAL . 6.0 m-85 -70.32 -22.75 62.79 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 114.355 1.242 . . . . 0.0 114.355 -169.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.33 154.16 10.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.2 1.4 . . . . 0.0 111.089 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -80.05 67.88 6.0 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.667 1.187 . . . . 0.0 109.594 172.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -62.82 -35.69 80.76 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.341 1.456 . . . . 0.0 112.934 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 66.4 mttm . . . . . 0 CA--C 1.536 0.405 0 C-N-CA 126.284 1.834 . . . . 0.0 108.536 178.479 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 69.9 t . . . . . 0 N--CA 1.481 1.101 0 CA-C-O 118.764 -0.636 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -77.89 157.98 31.1 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.678 2.919 . . . . 0.0 111.631 -176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -67.59 119.45 6.46 Favored 'Trans proline' 0 CA--C 1.544 0.979 0 C-N-CA 123.937 3.091 . . . . 0.0 109.873 177.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -79.53 152.62 23.16 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.399 2.733 . . . . 0.0 112.1 -172.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 93.4 t -104.25 114.54 64.2 Favored Pre-proline 0 CA--C 1.543 0.708 0 C-N-CA 125.63 1.572 . . . . 0.0 107.844 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -61.33 159.12 32.41 Favored 'Trans proline' 0 CA--C 1.543 0.974 0 C-N-CA 123.776 2.984 . . . . 0.0 113.387 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.47 139.34 40.97 Favored 'Trans proline' 0 CA--C 1.54 0.803 0 C-N-CA 123.267 2.645 . . . . 0.0 110.551 173.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 30.0 mtm180 -63.12 -30.47 71.62 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 21.0 ttm105 83.8 130.27 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 126.72 2.008 . . . . 0.0 111.239 175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.2 ptp85 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 116.918 -1.515 . . . . 0.0 111.951 175.173 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptp . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.353 0.872 . . . . 0.0 113.353 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -69.16 162.62 26.67 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.898 1.279 . . . . 0.0 113.434 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -150.07 130.83 14.12 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.131 1.773 . . . . 0.0 109.588 -171.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -78.36 148.7 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.618 -0.676 . . . . 0.0 112.009 -175.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.34 110.13 3.43 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.441 -0.787 . . . . 0.0 109.412 175.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -89.51 -36.88 15.12 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.871 1.268 . . . . 0.0 110.61 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 54.7 t -133.16 146.64 32.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 C-N-CA 125.799 1.64 . . . . 0.0 108.898 169.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -62.15 107.21 0.84 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.29 1.436 . . . . 0.0 111.222 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.1 t80 -86.03 113.71 22.33 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.912 0.885 . . . . 0.0 110.389 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -117.53 85.21 2.29 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.034 1.734 . . . . 0.0 107.577 -179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.08 142.41 57.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.178 0.991 . . . . 0.0 113.189 -170.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.6 p -84.96 -57.56 3.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.403 1.481 . . . . 0.0 110.071 174.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.73 125.63 26.83 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.303 1.441 . . . . 0.0 111.078 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -80.54 50.21 1.27 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.336 1.454 . . . . 0.0 112.622 -176.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -156.24 39.27 0.35 Allowed 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 126.044 1.738 . . . . 0.0 110.811 173.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -139.49 167.94 20.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.389 1.875 . . . . 0.0 110.253 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -74.48 169.61 17.37 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.707 0.803 . . . . 0.0 110.466 170.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.4 m -159.58 145.99 16.31 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.177 1.391 . . . . 0.0 109.418 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -167.61 169.23 12.09 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.014 0.926 . . . . 0.0 112.256 -169.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -102.41 154.2 19.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.744 1.217 . . . . 0.0 111.029 171.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.2 ttp-105 -52.57 118.99 4.01 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.069 1.748 . . . . 0.0 110.556 171.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.75 -42.53 1.65 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.596 1.57 . . . . 0.0 113.261 -173.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -55.22 125.36 20.31 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.564 1.546 . . . . 0.0 111.555 -177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.1 pt -74.67 117.21 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 C-N-CA 123.843 0.857 . . . . 0.0 110.979 178.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -91.97 114.77 27.39 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.597 1.159 . . . . 0.0 108.146 172.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -89.54 112.24 23.37 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.3 t -88.77 139.96 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 121.644 0.735 . . . . 0.0 109.061 -172.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.2 mt -89.92 -50.58 5.95 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.908 1.283 . . . . 0.0 110.577 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -150.35 164.73 35.09 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.382 1.073 . . . . 0.0 111.993 178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -91.02 139.09 31.09 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 168.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -83.91 174.06 10.68 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.425 0.631 . . . . 0.0 112.239 -172.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.1 m -67.75 -64.48 0.85 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.487 1.115 . . . . 0.0 110.659 -178.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -156.13 86.74 1.03 Allowed 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.838 1.655 . . . . 0.0 107.997 169.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -144.61 141.01 29.09 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.376 1.47 . . . . 0.0 108.636 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -82.51 49.47 1.46 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.376 0.67 . . . . 0.0 109.644 169.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -150.33 168.37 24.29 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 127.974 2.51 . . . . 0.0 109.928 -175.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -147.7 150.3 34.07 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.975 1.31 . . . . 0.0 110.841 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -89.49 129.97 35.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 169.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.05 150.76 32.2 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.93 0.892 . . . . 0.0 112.118 -173.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -100.93 140.06 35.75 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.717 2.007 . . . . 0.0 110.43 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 tp -157.82 112.51 2.65 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.794 1.638 . . . . 0.0 107.153 171.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 52.67 65.99 1.35 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.319 1.448 . . . . 0.0 111.309 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.94 -29.19 1.34 Allowed Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.731 1.157 . . . . 0.0 115.178 177.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -89.73 105.28 17.69 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.256 1.422 . . . . 0.0 110.528 -169.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -91.77 80.77 5.25 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.098 0.959 . . . . 0.0 109.994 170.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.13 -148.55 22.7 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.5 1.048 . . . . 0.0 110.703 169.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -142.88 153.96 43.65 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 122.904 1.335 . . . . 0.0 111.477 173.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 pt -128.01 140.32 37.89 Favored Pre-proline 0 N--CA 1.437 -1.094 0 CA-C-N 111.728 -2.487 . . . . 0.0 112.417 -167.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -57.17 157.3 21.63 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 124.153 3.235 . . . . 0.0 114.589 172.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.03 -41.12 95.55 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.859 1.263 . . . . 0.0 111.651 169.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -71.25 -51.31 25.27 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.633 1.573 . . . . 0.0 112.863 -175.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -65.17 -21.44 66.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.509 1.524 . . . . 0.0 114.461 -172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.12 158.27 5.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 124.598 1.159 . . . . 0.0 111.62 -179.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -86.12 69.0 10.46 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.518 1.927 . . . . 0.0 108.98 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -57.78 143.45 42.05 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.67 1.588 . . . . 0.0 113.106 -169.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 CA--C 1.537 0.443 0 C-N-CA 125.354 1.462 . . . . 0.0 110.15 -177.138 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 49.3 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 118.998 -0.525 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -56.31 159.93 11.98 Favored 'Trans proline' 0 CA--C 1.546 1.084 0 C-N-CA 124.087 3.192 . . . . 0.0 114.468 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -52.3 158.76 5.0 Favored 'Trans proline' 0 CA--C 1.542 0.917 0 C-N-CA 124.715 3.61 . . . . 0.0 114.141 175.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -67.63 130.39 22.0 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 122.924 2.416 . . . . 0.0 109.796 171.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 94.3 t -72.75 114.81 33.71 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 124.569 1.148 . . . . 0.0 108.75 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -64.15 160.35 38.71 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.737 2.958 . . . . 0.0 113.872 -175.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -74.27 142.74 30.77 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.573 2.849 . . . . 0.0 111.258 174.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -69.23 -33.23 72.97 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.719 1.208 . . . . 0.0 112.55 172.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt-85 83.37 158.51 0.12 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 128.485 2.714 . . . . 0.0 111.056 -169.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 . . . . . 0 C--O 1.251 1.174 0 C-N-CA 125.16 1.384 . . . . 0.0 109.292 177.506 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 ptp . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.12 143.38 8.32 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.371 1.068 . . . . 0.0 113.367 -177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -129.09 138.71 52.0 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.709 1.204 . . . . 0.0 111.887 -169.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 37.7 mm -80.16 127.54 39.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 C-N-CA 125.208 1.403 . . . . 0.0 109.814 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.5 118.02 7.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.44 0.696 . . . . 0.0 110.388 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.89 -44.77 9.69 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.57 1.148 . . . . 0.0 111.014 -174.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.6 t -136.26 147.25 28.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.225 1.41 . . . . 0.0 110.587 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -62.11 107.36 0.86 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.627 1.971 . . . . 0.0 111.324 174.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -95.12 126.82 40.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.796 1.239 . . . . 0.0 111.229 -173.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -96.77 74.78 2.71 Favored 'General case' 0 CA--C 1.537 0.442 0 C-N-CA 125.538 1.535 . . . . 0.0 109.825 -172.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.24 74.39 4.78 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.158 1.383 . . . . 0.0 111.942 -176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.2 p -83.36 55.25 3.09 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.595 1.158 . . . . 0.0 110.529 175.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -170.41 144.09 2.42 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.531 1.532 . . . . 0.0 110.776 -176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.61 61.61 4.38 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.561 1.544 . . . . 0.0 111.188 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -162.12 -61.57 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.831 2.052 . . . . 0.0 107.995 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -60.33 153.26 23.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.638 1.575 . . . . 0.0 111.159 170.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 tt -105.12 128.28 53.29 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.686 1.595 . . . . 0.0 109.985 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.7 m -79.43 108.65 13.12 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.181 0.992 . . . . 0.0 110.078 176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -142.62 160.51 40.16 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.295 1.038 . . . . 0.0 111.888 175.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -97.38 -123.6 0.13 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.615 1.566 . . . . 0.0 109.834 -174.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -156.09 137.53 14.0 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.02 1.328 . . . . 0.0 109.744 -175.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.65 -6.73 76.52 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 124.445 1.021 . . . . 0.0 113.376 -169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -63.7 171.82 2.49 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.637 1.575 . . . . 0.0 110.886 173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 pt -132.71 105.43 8.68 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 C-N-CA 125.256 1.422 . . . . 0.0 109.269 172.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mp -89.94 151.15 21.85 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.044 1.338 . . . . 0.0 110.364 176.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -89.61 122.07 32.4 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.378 1.471 . . . . 0.0 107.852 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.4 t -89.32 134.69 27.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 118.939 0.791 . . . . 0.0 109.274 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.8 mt -107.76 -50.94 2.98 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.184 1.794 . . . . 0.0 109.809 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -89.86 95.98 10.48 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.279 1.032 . . . . 0.0 108.361 172.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -54.88 -70.27 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.606 1.963 . . . . 0.0 113.912 -169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -75.09 -63.24 1.31 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.06 1.344 . . . . 0.0 112.521 -169.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.4 m 74.71 118.27 0.05 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.375 2.27 . . . . 0.0 112.765 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -61.12 -50.34 73.62 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.717 1.207 . . . . 0.0 109.822 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -68.96 161.31 29.13 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.728 2.011 . . . . 0.0 111.779 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -80.15 54.71 2.01 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.289 1.036 . . . . 0.0 109.318 169.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.8 m95 -150.45 170.67 18.52 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 127.291 2.236 . . . . 0.0 110.482 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -147.08 136.13 22.39 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 125.248 1.419 . . . . 0.0 110.563 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.7 mttt -89.4 110.52 21.32 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -135.32 169.38 17.57 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.934 1.294 . . . . 0.0 111.559 -171.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -149.21 135.54 19.24 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.929 0.891 . . . . 0.0 112.495 -169.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.69 174.7 5.75 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 126.782 2.033 . . . . 0.0 109.142 169.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -13.32 -62.53 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 129.43 3.092 . . . . 0.0 115.089 -177.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.39 49.83 0.6 Allowed Glycine 0 CA--C 1.534 1.226 0 C-N-CA 124.908 1.242 . . . . 0.0 111.236 169.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -147.1 96.11 2.67 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.413 1.485 . . . . 0.0 109.979 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -89.94 146.97 24.0 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.571 1.549 . . . . 0.0 110.894 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 174.4 -176.0 46.73 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 123.532 0.587 . . . . 0.0 113.179 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.0 m-30 -93.25 143.32 26.37 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.735 1.214 . . . . 0.0 110.595 -177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 tt -135.73 114.49 11.14 Favored Pre-proline 0 CA--C 1.541 0.611 0 C-N-CA 126.629 1.971 . . . . 0.0 109.661 -169.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.41 146.64 72.65 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.043 3.162 . . . . 0.0 113.361 175.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -61.63 -38.66 88.46 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.394 1.078 . . . . 0.0 111.936 172.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 -66.62 -33.74 76.32 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.826 1.25 . . . . 0.0 112.979 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -88.28 7.21 33.26 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.289 1.436 . . . . 0.0 113.347 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 1.3 pp -139.48 154.2 24.51 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 124.655 1.182 . . . . 0.0 111.681 -177.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -117.01 119.86 36.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.38 1.872 . . . . 0.0 106.708 169.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 56.5 ttm -63.36 -80.36 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.314 0.646 . . . . 0.0 110.512 -178.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp . . . . . 0 CA--C 1.536 0.425 0 C-N-CA 125.137 1.375 . . . . 0.0 110.154 174.24 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 118.782 -0.628 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -55.95 157.42 16.73 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 124.231 3.287 . . . . 0.0 113.669 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.54 159.47 13.51 Favored 'Trans proline' 0 CA--C 1.542 0.915 0 C-N-CA 123.856 3.037 . . . . 0.0 113.499 177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -68.44 152.47 75.19 Favored 'Trans proline' 0 CA--C 1.54 0.811 0 C-N-CA 122.879 2.386 . . . . 0.0 110.614 170.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.13 114.5 64.32 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 125.011 1.325 . . . . 0.0 108.051 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -61.11 146.59 97.43 Favored 'Trans proline' 0 CA--C 1.542 0.889 0 C-N-CA 123.452 2.768 . . . . 0.0 112.873 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.42 138.87 30.69 Favored 'Trans proline' 0 CA--C 1.54 0.796 0 C-N-CA 123.538 2.826 . . . . 0.0 110.93 178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -92.15 148.35 22.23 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.418 1.087 . . . . 0.0 111.786 178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 78.1 mtp180 -70.21 118.87 13.58 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 126.035 1.734 . . . . 0.0 110.115 178.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 69.8 mtp85 . . . . . 0 C--O 1.252 1.217 0 C-N-CA 125.075 1.35 . . . . 0.0 110.107 177.461 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 52.24 51.61 15.95 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.997 1.719 . . . . 0.0 110.437 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.0 143.32 44.51 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.406 1.483 . . . . 0.0 111.94 -169.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.85 129.12 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 125.795 1.638 . . . . 0.0 110.318 169.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.7 134.78 57.19 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.005 0.922 . . . . 0.0 110.421 169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -89.72 -48.75 7.06 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.064 0.946 . . . . 0.0 111.378 -171.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 27.9 m -137.45 156.3 32.77 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 125.473 1.509 . . . . 0.0 111.216 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -58.48 126.48 27.74 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.696 1.199 . . . . 0.0 110.87 175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -137.33 113.69 10.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.148 1.379 . . . . 0.0 108.772 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -130.22 85.56 2.3 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.042 1.337 . . . . 0.0 109.692 -169.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.52 163.55 25.46 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.726 1.211 . . . . 0.0 112.244 179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -127.85 52.48 1.86 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.517 1.527 . . . . 0.0 110.595 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -156.96 138.69 14.19 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.978 1.311 . . . . 0.0 110.399 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -79.86 64.84 4.84 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.359 1.464 . . . . 0.0 111.114 -174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -170.09 -40.65 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.924 2.09 . . . . 0.0 110.819 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -83.42 109.88 17.7 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.711 1.604 . . . . 0.0 110.44 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -71.46 121.41 18.57 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.021 1.328 . . . . 0.0 110.71 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.0 m -99.85 154.62 18.2 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.311 1.844 . . . . 0.0 111.45 -176.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -167.69 166.99 13.6 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.006 1.322 . . . . 0.0 111.826 -172.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -100.73 -93.81 0.28 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.249 1.42 . . . . 0.0 110.886 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 14.0 ttp-105 -172.7 127.5 0.5 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.016 1.727 . . . . 0.0 108.356 -170.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.87 -31.12 6.42 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 123.811 0.719 . . . . 0.0 111.6 -169.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.03 118.44 1.28 Allowed 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 127.96 2.504 . . . . 0.0 110.522 175.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -79.09 107.36 11.46 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.772 0.829 . . . . 0.0 110.058 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.39 111.55 22.44 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.911 0.884 . . . . 0.0 108.639 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -89.18 110.37 21.13 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 126.205 1.802 . . . . 0.0 108.175 -174.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 59.8 t -89.55 150.04 3.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 124.28 1.032 . . . . 0.0 109.938 -176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -90.0 -105.81 0.09 Allowed 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.397 1.079 . . . . 0.0 110.338 -172.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -150.36 -75.37 0.15 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.339 1.056 . . . . 0.0 109.963 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.11 76.03 4.64 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.788 1.235 . . . . 0.0 109.603 177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -64.69 -41.09 96.28 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.54 1.136 . . . . 0.0 112.014 173.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.2 t 69.71 -65.38 0.31 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.593 2.357 . . . . 0.0 112.028 176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -70.07 85.56 0.54 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 127.161 2.184 . . . . 0.0 109.424 175.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -78.06 67.52 3.91 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-O 122.071 0.939 . . . . 0.0 110.069 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -170.68 -43.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 128.849 2.859 . . . . 0.0 108.671 -169.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -137.2 124.86 22.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.626 1.57 . . . . 0.0 108.339 169.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -88.94 153.23 21.2 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 119.204 0.911 . . . . 0.0 111.557 -171.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -89.17 106.89 18.73 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 173.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -140.38 178.51 7.25 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.293 1.437 . . . . 0.0 112.473 -169.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -141.11 167.42 22.22 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.255 1.822 . . . . 0.0 112.207 -171.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.7 mt -131.09 -174.71 3.46 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.198 2.199 . . . . 0.0 109.52 169.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -43.58 -41.99 4.86 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 126.473 1.909 . . . . 0.0 113.43 175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -157.71 50.63 0.42 Allowed Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.346 0.974 . . . . 0.0 112.444 173.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -148.04 159.22 44.14 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.419 1.488 . . . . 0.0 110.354 171.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -142.0 145.66 34.69 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 126.243 1.817 . . . . 0.0 109.68 -173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 147.19 -163.57 28.67 Favored Glycine 0 CA--C 1.537 1.41 0 N-CA-C 115.149 0.82 . . . . 0.0 115.149 169.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -89.94 127.94 36.13 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.871 1.668 . . . . 0.0 111.839 -173.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 14.2 pt -110.93 136.8 20.75 Favored Pre-proline 0 N--CA 1.469 0.512 0 C-N-CA 126.119 1.767 . . . . 0.0 109.987 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -56.58 120.39 8.25 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 123.182 2.588 . . . . 0.0 111.346 169.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -51.19 -37.84 48.93 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.397 1.479 . . . . 0.0 113.321 -177.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 -67.67 -34.55 77.15 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.745 1.218 . . . . 0.0 113.127 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 11.1 m-30 -85.88 39.66 0.82 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 36.3 pt -139.29 160.31 28.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 125.925 1.69 . . . . 0.0 110.178 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -69.8 -80.74 0.05 OUTLIER 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.63 1.572 . . . . 0.0 110.21 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 27.7 ttt 52.96 83.55 0.06 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.505 1.922 . . . . 0.0 112.638 171.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 96.3 mttt . . . . . 0 CA--C 1.537 0.449 0 C-N-CA 124.272 1.029 . . . . 0.0 109.032 -177.588 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.482 1.128 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.937 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.77 166.57 29.02 Favored 'Trans proline' 0 CA--C 1.545 1.028 0 C-N-CA 123.53 2.82 . . . . 0.0 111.502 178.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.57 155.42 26.25 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.625 2.883 . . . . 0.0 113.561 176.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -76.48 129.02 10.72 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.875 3.05 . . . . 0.0 110.671 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.81 125.62 81.82 Favored Pre-proline 0 CA--C 1.547 0.865 0 C-N-CA 124.437 1.095 . . . . 0.0 109.166 177.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -52.32 161.7 2.55 Favored 'Trans proline' 0 CA--C 1.546 1.075 0 C-N-CA 124.376 3.384 . . . . 0.0 114.389 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.1 128.77 20.3 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 124.241 3.294 . . . . 0.0 112.217 173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -51.46 -59.85 3.79 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.986 1.314 . . . . 0.0 114.066 -169.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -137.69 70.8 1.39 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.44 1.496 . . . . 0.0 109.834 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? . . . . . 0 C--O 1.253 1.246 0 C-N-CA 125.129 1.372 . . . . 0.0 109.69 175.324 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.689 0 CA-C-O 121.047 0.451 . . . . 0.0 110.501 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -58.21 164.13 2.57 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.828 1.651 . . . . 0.0 114.298 -172.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -140.4 135.81 32.45 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.206 1.402 . . . . 0.0 110.461 -178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.4 mt -85.82 128.09 39.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.22 1.008 . . . . 0.0 108.642 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -50.3 116.82 2.04 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.058 1.343 . . . . 0.0 111.341 175.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -89.91 -41.57 11.7 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.667 1.987 . . . . 0.0 110.6 -174.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.87 146.18 34.37 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 125.374 1.47 . . . . 0.0 109.229 175.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -66.27 106.31 1.65 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.466 1.506 . . . . 0.0 110.125 -179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -100.31 102.63 13.92 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.22 1.408 . . . . 0.0 110.397 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -89.91 88.61 7.39 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.379 1.072 . . . . 0.0 109.232 176.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.13 143.15 55.53 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.445 0.698 . . . . 0.0 111.703 179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.4 p -88.77 -70.48 0.64 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.153 1.381 . . . . 0.0 110.866 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.89 151.97 41.68 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.186 1.395 . . . . 0.0 112.735 -174.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.66 59.83 3.16 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 125.943 1.697 . . . . 0.0 111.789 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -155.9 -46.64 0.08 Allowed 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.717 2.007 . . . . 0.0 109.242 174.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -68.2 122.19 17.78 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.117 1.367 . . . . 0.0 109.372 169.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.8 tp -76.85 122.76 25.27 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.152 1.381 . . . . 0.0 110.422 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.4 t -84.14 145.19 28.53 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.312 1.445 . . . . 0.0 110.216 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -158.81 154.56 26.36 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -94.44 149.79 20.89 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.225 2.21 . . . . 0.0 109.545 174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -52.09 125.14 14.71 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.27 1.028 . . . . 0.0 110.665 170.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 107.59 -30.73 8.78 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 125.152 1.358 . . . . 0.0 113.766 -175.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -57.6 126.38 27.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 118.913 1.356 . . . . 0.0 110.682 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 1.8 pp -77.87 104.79 6.13 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 124.342 1.057 . . . . 0.0 110.562 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -89.98 107.5 19.15 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 124.861 1.264 . . . . 0.0 108.514 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -89.84 116.33 27.84 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.373 1.069 . . . . 0.0 109.085 177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -88.86 131.65 35.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.263 0 C-N-CA 124.232 1.013 . . . . 0.0 108.591 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -89.79 -76.73 0.41 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.625 1.17 . . . . 0.0 109.641 -169.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -150.62 153.9 36.53 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.441 1.096 . . . . 0.0 110.614 171.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -60.51 141.95 55.87 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.854 1.262 . . . . 0.0 110.138 170.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.05 -51.2 1.9 Allowed 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.553 1.541 . . . . 0.0 112.685 -169.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -159.31 -82.68 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.215 1.406 . . . . 0.0 109.52 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -81.94 74.06 8.94 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.067 1.347 . . . . 0.0 110.376 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -46.01 -26.14 0.67 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.792 2.037 . . . . 0.0 115.282 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -45.02 -38.28 4.72 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.405 1.882 . . . . 0.0 112.383 169.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 10.8 m95 -122.48 128.53 50.96 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.622 1.569 . . . . 0.0 109.523 169.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -92.93 139.06 30.92 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.465 0.706 . . . . 0.0 110.59 -178.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -88.35 82.18 7.08 Favored 'General case' 0 C--N 1.342 0.282 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.87 -172.98 3.73 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 126.707 2.003 . . . . 0.0 111.416 -172.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -147.63 129.09 14.93 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.921 1.288 . . . . 0.0 109.855 169.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 tt -55.94 -65.13 0.65 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.302 1.441 . . . . 0.0 109.501 172.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -159.61 -45.22 0.05 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.064 1.746 . . . . 0.0 111.455 169.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.02 40.0 1.59 Allowed Glycine 0 CA--C 1.537 1.417 0 C-N-CA 125.381 1.467 . . . . 0.0 111.654 170.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -150.08 98.05 2.65 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.234 1.814 . . . . 0.0 108.622 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -90.76 154.77 19.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.433 1.493 . . . . 0.0 112.971 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 150.93 -173.1 30.52 Favored Glycine 0 CA--C 1.537 1.456 0 C-N-CA 124.509 1.052 . . . . 0.0 113.392 174.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -89.47 123.21 33.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.437 1.095 . . . . 0.0 112.357 -169.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 6.1 pt -104.46 133.57 20.13 Favored Pre-proline 0 CA--C 1.538 0.503 0 C-N-CA 127.086 2.154 . . . . 0.0 108.666 177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -75.38 137.11 20.49 Favored 'Trans proline' 0 CA--C 1.536 0.586 0 C-N-CA 123.038 2.492 . . . . 0.0 110.639 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -77.55 65.87 3.16 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.259 0.624 . . . . 0.0 110.394 173.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -159.97 -53.75 0.06 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.593 1.557 . . . . 0.0 110.583 -176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -77.04 11.74 1.68 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 124.889 1.276 . . . . 0.0 113.035 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.4 pt -127.29 156.3 38.79 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 C-N-CA 125.871 1.668 . . . . 0.0 111.958 -176.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.08 98.49 8.14 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 127.182 2.193 . . . . 0.0 107.539 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 59.6 ttp -66.82 94.62 0.32 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.543 1.137 . . . . 0.0 110.97 -173.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 ttpt . . . . . 0 CA--C 1.537 0.474 0 C-N-CA 125.547 1.539 . . . . 0.0 110.524 -175.528 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 51.4 t . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 118.435 -0.793 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -74.75 166.56 29.05 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 123.426 2.751 . . . . 0.0 111.828 -178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -54.33 140.8 72.83 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 123.678 2.919 . . . . 0.0 112.96 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -71.9 114.53 3.99 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 122.811 2.341 . . . . 0.0 109.208 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 6.3 p -80.37 124.66 82.28 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 123.742 0.817 . . . . 0.0 109.703 -177.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -51.37 155.15 7.3 Favored 'Trans proline' 0 CA--C 1.54 0.806 0 C-N-CA 124.442 3.428 . . . . 0.0 114.081 178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.43 153.2 30.77 Favored 'Trans proline' 0 CA--C 1.54 0.813 0 C-N-CA 123.397 2.732 . . . . 0.0 110.956 172.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -83.62 -69.41 0.64 Allowed 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.08 0.952 . . . . 0.0 108.881 169.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -153.72 140.69 19.27 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.922 1.689 . . . . 0.0 109.503 176.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.25 1.1 0 C-N-CA 125.876 1.67 . . . . 0.0 109.518 177.074 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.5 ptp . . . . . 0 CA--C 1.543 0.688 0 CA-C-O 121.101 0.477 . . . . 0.0 110.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -58.72 154.37 14.81 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.76 1.224 . . . . 0.0 114.063 -170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -134.76 172.82 12.42 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.156 1.783 . . . . 0.0 111.455 -174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mm -114.38 139.06 42.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.704 1.602 . . . . 0.0 109.538 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.74 125.62 26.82 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.236 1.015 . . . . 0.0 111.603 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -89.73 -47.4 7.95 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.061 1.745 . . . . 0.0 110.833 -177.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 64.7 t -131.72 148.49 32.45 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 126.354 1.861 . . . . 0.0 109.51 178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -69.92 91.5 0.66 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.519 1.528 . . . . 0.0 111.331 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -78.63 145.46 34.66 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.014 1.726 . . . . 0.0 113.373 -172.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -148.12 139.78 23.76 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.597 1.959 . . . . 0.0 109.531 -176.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -158.18 167.3 30.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.861 1.264 . . . . 0.0 111.759 172.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.3 m -109.46 -37.07 5.82 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.45 1.9 . . . . 0.0 111.652 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.3 149.34 5.6 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.813 1.645 . . . . 0.0 113.938 -172.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.0 62.31 1.62 Allowed 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.385 1.874 . . . . 0.0 111.412 -176.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -165.78 -47.73 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 127.212 2.205 . . . . 0.0 110.062 -176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.07 160.19 0.37 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -169.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HB2' ' CA ' ' A' ' 46' ' ' GLY . 20.7 tp -136.58 115.51 12.28 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 126.602 1.961 . . . . 0.0 107.015 169.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -91.18 144.46 25.61 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.572 1.949 . . . . 0.0 110.723 -175.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -156.01 162.01 40.38 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.842 0.857 . . . . 0.0 111.969 -174.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -100.17 169.16 9.34 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.95 1.7 . . . . 0.0 110.848 173.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 57.3 mtp180 -63.96 132.71 51.51 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.743 1.217 . . . . 0.0 110.663 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.83 -26.63 17.59 Favored Glycine 0 CA--C 1.539 1.589 0 CA-C-O 118.793 -1.004 . . . . 0.0 114.516 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -51.02 140.89 14.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.797 1.639 . . . . 0.0 112.205 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 pt -77.33 122.63 32.38 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 124.705 1.202 . . . . 0.0 110.346 175.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.89 102.25 10.03 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.627 1.571 . . . . 0.0 108.361 173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 72.3 tttt -89.68 105.96 18.15 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.601 1.96 . . . . 0.0 108.01 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.76 122.4 40.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 C-N-CA 124.056 0.943 . . . . 0.0 110.082 -169.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 44.0 mt -93.68 -68.79 0.78 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.193 1.397 . . . . 0.0 110.414 -170.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -150.12 164.81 34.64 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.037 1.335 . . . . 0.0 111.59 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -173.41 -99.68 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.689 1.996 . . . . 0.0 108.592 172.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -132.34 -55.08 0.97 Allowed 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.804 1.642 . . . . 0.0 110.628 176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.6 p -161.72 -75.17 0.05 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.145 1.778 . . . . 0.0 109.74 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -148.46 50.9 1.01 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.83 1.652 . . . . 0.0 109.87 178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -67.21 166.87 13.26 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 127.356 2.262 . . . . 0.0 112.16 -176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -51.13 -21.88 2.2 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.317 1.847 . . . . 0.0 114.306 171.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 48.9 m95 -143.08 141.5 31.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.749 1.22 . . . . 0.0 110.906 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -112.52 141.92 45.7 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 126.461 1.904 . . . . 0.0 108.819 177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -89.57 105.67 17.95 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.683 1.129 . . . . 0.0 109.233 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -108.44 170.18 8.18 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 125.908 1.683 . . . . 0.0 113.624 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -120.85 126.04 49.05 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 128.569 2.747 . . . . 0.0 108.143 174.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.05 -69.53 0.49 Allowed 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 171.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -176.41 -56.65 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.557 2.343 . . . . 0.0 110.508 169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -81.75 -17.52 70.25 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.348 1.452 . . . . 0.0 113.705 175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -150.1 159.64 44.26 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.271 1.428 . . . . 0.0 111.487 -177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.73 146.4 39.52 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.711 1.604 . . . . 0.0 111.791 -175.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 17' ' ' LEU . . . 169.12 -165.39 38.87 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 125.46 1.505 . . . . 0.0 112.203 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -89.68 130.48 35.95 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.187 0.995 . . . . 0.0 113.379 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.4 pt -104.96 148.17 35.69 Favored Pre-proline 0 CA--C 1.541 0.614 0 C-N-CA 127.296 2.238 . . . . 0.0 109.413 174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -85.58 155.44 10.48 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 123.086 2.524 . . . . 0.0 111.348 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 32.8 tttp -81.43 59.27 3.97 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.181 1.392 . . . . 0.0 109.94 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -165.13 -60.0 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.735 1.214 . . . . 0.0 111.186 -177.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -68.07 -9.5 46.58 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.4 1.48 . . . . 0.0 113.572 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.5 pt -98.48 157.59 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.699 0 C-N-CA 126.146 1.778 . . . . 0.0 111.007 173.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -131.46 115.26 15.95 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.133 1.773 . . . . 0.0 109.426 169.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.8 ttt -81.72 -40.1 23.25 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.888 1.275 . . . . 0.0 112.004 177.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 CA--C 1.536 0.435 0 C-N-CA 125.117 1.367 . . . . 0.0 109.55 -178.825 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.82 -0.61 . . . . 0.0 110.639 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -54.58 148.88 41.97 Favored 'Trans proline' 0 CA--C 1.543 0.964 0 C-N-CA 124.06 3.173 . . . . 0.0 113.108 175.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -66.55 114.87 3.26 Favored 'Trans proline' 0 CA--C 1.544 0.995 0 C-N-CA 124.175 3.25 . . . . 0.0 110.716 -177.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -76.41 142.57 23.88 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.388 2.726 . . . . 0.0 111.921 -172.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 99.4 t -97.24 114.49 64.83 Favored Pre-proline 0 CA--C 1.546 0.808 0 C-N-CA 125.303 1.441 . . . . 0.0 107.855 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -64.06 160.21 38.99 Favored 'Trans proline' 0 CA--C 1.543 0.94 0 C-N-CA 124.187 3.258 . . . . 0.0 113.7 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -72.35 149.07 50.16 Favored 'Trans proline' 0 CA--C 1.54 0.821 0 C-N-CA 123.496 2.797 . . . . 0.0 110.295 169.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -69.31 -72.41 0.19 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.687 0.795 . . . . 0.0 110.937 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 63.0 mtp180 -140.66 67.63 1.36 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.212 1.405 . . . . 0.0 107.68 169.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.477 1.911 . . . . 0.0 109.325 -169.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptt? . . . . . 0 CA--C 1.542 0.638 0 CA-C-O 121.07 0.462 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -151.69 173.64 14.45 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.599 1.16 . . . . 0.0 112.389 -177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.34 155.86 42.38 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.249 1.82 . . . . 0.0 111.006 -176.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -104.04 133.39 48.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 C-N-CA 125.248 1.419 . . . . 0.0 109.384 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -65.89 120.28 12.78 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.601 1.161 . . . . 0.0 111.342 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.1 mmmm -89.92 -41.39 11.8 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.96 1.704 . . . . 0.0 111.405 -178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.1 m -134.25 149.12 29.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 C-N-CA 125.282 1.433 . . . . 0.0 109.954 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -73.04 144.63 47.05 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.81 1.244 . . . . 0.0 111.89 -173.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -129.43 126.15 38.11 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.919 1.688 . . . . 0.0 111.22 -173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -100.81 117.1 34.22 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.609 1.564 . . . . 0.0 109.268 170.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.78 152.31 44.75 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.301 1.04 . . . . 0.0 112.028 174.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.9 t -132.95 -42.28 0.9 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.864 1.665 . . . . 0.0 111.716 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.89 173.23 10.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 123.666 0.786 . . . . 0.0 112.128 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -70.43 -62.83 1.24 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.733 1.213 . . . . 0.0 111.95 -176.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.54 60.94 4.08 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.129 1.372 . . . . 0.0 110.152 177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -145.47 116.53 7.85 Favored 'General case' 0 CA--C 1.534 0.337 0 O-C-N 121.667 -0.646 . . . . 0.0 110.264 -169.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.84 121.69 37.84 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.778 1.631 . . . . 0.0 110.234 -172.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.8 t -84.28 149.76 25.87 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.666 1.586 . . . . 0.0 110.674 176.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -159.65 161.98 35.07 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.528 0.731 . . . . 0.0 112.246 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -112.14 159.61 18.36 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.834 2.054 . . . . 0.0 110.409 179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.4 mtm105 -49.75 130.01 20.56 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.101 1.36 . . . . 0.0 112.169 172.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.39 -22.13 36.83 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.858 1.218 . . . . 0.0 114.414 -179.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 -56.22 133.4 52.41 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 119.203 1.502 . . . . 0.0 111.825 -176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -85.48 96.94 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 125.542 1.537 . . . . 0.0 109.999 -178.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.2 mt -89.62 113.37 24.81 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.088 1.755 . . . . 0.0 108.969 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? -88.83 110.59 21.17 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 176.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -89.39 137.63 20.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 121.685 0.755 . . . . 0.0 109.752 -169.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.3 mt -107.47 -54.05 2.53 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.883 2.073 . . . . 0.0 109.413 -169.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -106.82 116.6 32.21 Favored 'General case' 0 C--N 1.345 0.397 0 C-N-CA 124.731 1.212 . . . . 0.0 108.88 172.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -65.13 157.39 28.76 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.333 1.053 . . . . 0.0 111.302 173.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -73.21 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.632 1.973 . . . . 0.0 113.985 -169.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.7 t 59.61 -158.51 0.31 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.97 1.708 . . . . 0.0 111.431 -174.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -78.13 80.22 4.56 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.443 0.697 . . . . 0.0 109.174 171.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -137.56 -61.05 0.65 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.351 1.461 . . . . 0.0 110.096 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.0 t30 104.02 -12.07 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 130.174 3.39 . . . . 0.0 112.2 -170.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 14.6 m95 -133.04 159.83 38.93 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.446 1.898 . . . . 0.0 109.983 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' HD11 ' A' ' 53' ' ' ILE . 82.9 m-85 -107.37 171.94 7.1 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.833 1.653 . . . . 0.0 110.574 170.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -115.49 119.17 35.31 Favored 'General case' 0 C--N 1.343 0.3 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 168.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -136.8 177.72 7.63 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.111 0.965 . . . . 0.0 112.678 -173.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.2 139.05 20.88 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.177 1.391 . . . . 0.0 110.589 -170.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 42.9 mt -108.79 -90.61 0.45 Allowed 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.12 1.368 . . . . 0.0 109.083 170.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.25 -41.97 98.9 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.793 2.437 . . . . 0.0 113.235 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 153.31 -8.72 0.49 Allowed Glycine 0 CA--C 1.541 1.689 0 C-N-CA 125.777 1.656 . . . . 0.0 113.218 -169.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -89.7 103.03 15.71 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.075 1.75 . . . . 0.0 107.341 178.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -89.73 78.23 6.96 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.292 1.437 . . . . 0.0 112.892 -169.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.73 171.47 22.87 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.739 1.161 . . . . 0.0 113.455 175.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -89.82 153.82 20.37 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.389 1.076 . . . . 0.0 112.23 -176.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 44.3 pt -133.03 142.17 43.64 Favored Pre-proline 0 CA--C 1.545 0.761 0 C-N-CA 126.332 1.853 . . . . 0.0 110.972 -173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.84 135.64 23.86 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.536 2.824 . . . . 0.0 111.253 175.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -48.32 -53.95 15.55 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.361 1.465 . . . . 0.0 114.167 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -60.8 -23.16 64.83 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.233 1.413 . . . . 0.0 114.512 -169.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -81.32 -11.09 59.43 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -169.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.437 HD11 ' CE1' ' A' ' 37' ' ' TYR . 16.9 pt -119.23 171.35 7.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 C-N-CA 124.722 1.209 . . . . 0.0 112.714 -176.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -78.29 -72.91 0.35 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.762 1.625 . . . . 0.0 110.307 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 45.03 74.09 0.14 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 127.968 2.507 . . . . 0.0 111.788 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 CA--C 1.535 0.381 0 C-N-CA 125.477 1.511 . . . . 0.0 110.351 -175.644 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 54.7 t . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 118.831 -0.604 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -56.6 160.22 12.1 Favored 'Trans proline' 0 CA--C 1.545 1.062 0 C-N-CA 124.023 3.149 . . . . 0.0 113.505 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -50.24 123.46 11.13 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 124.221 3.281 . . . . 0.0 113.342 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -80.51 135.91 10.75 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 123.918 3.079 . . . . 0.0 110.342 175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 87.0 t -90.38 115.17 63.49 Favored Pre-proline 0 CA--C 1.546 0.812 0 C-N-CA 125.628 1.571 . . . . 0.0 110.503 -173.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.68 146.1 96.33 Favored 'Trans proline' 0 CA--C 1.543 0.972 0 C-N-CA 123.821 3.014 . . . . 0.0 112.09 170.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -71.65 141.99 39.02 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.683 2.922 . . . . 0.0 112.195 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -75.07 157.37 34.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.935 0.894 . . . . 0.0 112.23 174.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -65.26 126.78 29.24 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.218 1.407 . . . . 0.0 110.956 -177.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.252 1.209 0 C-N-CA 125.087 1.355 . . . . 0.0 110.581 172.977 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 pmm? . . . . . 0 CA--C 1.543 0.679 0 CA-C-O 121.011 0.434 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.93 145.38 53.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.792 1.237 . . . . 0.0 113.365 -173.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.3 -178.2 3.46 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.521 1.928 . . . . 0.0 111.158 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.81 148.78 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 125.147 1.379 . . . . 0.0 109.136 169.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.38 127.44 32.98 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.435 1.094 . . . . 0.0 110.876 173.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -97.38 -35.4 10.7 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.14 1.376 . . . . 0.0 111.583 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.7 t -131.06 147.68 33.02 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.264 1.825 . . . . 0.0 109.798 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -74.05 82.45 1.75 Allowed 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.065 1.346 . . . . 0.0 111.478 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -74.67 84.95 2.11 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.016 1.326 . . . . 0.0 110.529 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -89.94 64.84 6.45 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.85 1.26 . . . . 0.0 112.017 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.17 41.03 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.757 0.823 . . . . 0.0 112.306 175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 66.8 p -135.8 60.28 1.69 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.333 1.453 . . . . 0.0 110.049 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -158.32 144.2 16.98 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.197 1.399 . . . . 0.0 110.327 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -82.44 60.08 4.92 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.096 0.958 . . . . 0.0 110.527 178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -160.21 -57.25 0.06 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 126.877 2.071 . . . . 0.0 107.976 177.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -71.7 115.13 10.53 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 169.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -57.35 4.8 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.12 1.368 . . . . 0.0 113.701 -169.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.0 t 82.62 127.05 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 128.008 2.523 . . . . 0.0 111.057 -174.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -162.78 166.55 24.09 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.616 1.166 . . . . 0.0 112.804 -175.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -127.1 148.78 50.14 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.213 1.805 . . . . 0.0 110.453 177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.4 ttm105 -44.48 131.61 6.44 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.392 1.877 . . . . 0.0 113.304 -178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.56 -9.64 64.28 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.58 1.562 . . . . 0.0 115.024 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -66.36 135.41 54.3 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 119.582 1.691 . . . . 0.0 109.351 171.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.6 mt -79.37 112.95 18.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 124.848 1.259 . . . . 0.0 108.887 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -89.08 117.01 27.78 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 177.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -89.47 94.02 9.72 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 106.009 -1.849 . . . . 0.0 106.009 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.67 140.7 15.38 Favored 'Isoleucine or valine' 0 C--N 1.341 0.215 0 C-N-CA 123.77 0.828 . . . . 0.0 111.623 -168.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -108.84 -52.7 2.73 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.835 2.054 . . . . 0.0 109.83 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -89.91 139.2 30.83 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.819 1.647 . . . . 0.0 111.008 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -75.86 -121.52 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.675 1.59 . . . . 0.0 109.479 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -79.87 -77.53 0.18 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.418 1.087 . . . . 0.0 109.219 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.3 m 60.36 -141.67 0.56 Allowed 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.886 1.674 . . . . 0.0 111.237 179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -72.4 174.07 7.88 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.158 1.383 . . . . 0.0 111.139 171.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 62.57 -178.86 0.14 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.225 1.81 . . . . 0.0 113.021 174.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -116.42 30.41 7.36 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.095 1.358 . . . . 0.0 110.132 169.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.7 m95 -145.58 144.31 30.41 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.404 1.882 . . . . 0.0 109.163 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.6 m-30 -101.35 154.28 18.93 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.753 0.821 . . . . 0.0 110.738 176.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -89.61 127.25 35.87 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 169.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -150.06 153.82 37.09 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.874 1.27 . . . . 0.0 111.576 -177.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -102.61 150.29 23.57 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.778 1.631 . . . . 0.0 112.207 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 26.5 mt -139.04 -119.08 0.13 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.582 1.953 . . . . 0.0 108.507 169.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -75.72 74.46 2.7 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.232 1.813 . . . . 0.0 110.874 -175.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 56.64 35.0 65.31 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.425 1.488 . . . . 0.0 114.559 177.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.5 ptmm? -150.25 132.41 15.38 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.75 1.22 . . . . 0.0 110.251 173.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -92.72 125.71 37.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.076 1.35 . . . . 0.0 109.129 170.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.64 179.05 26.74 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.033 0.825 . . . . 0.0 113.427 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -89.55 134.94 33.88 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.827 1.251 . . . . 0.0 111.279 -172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 pt -116.82 127.07 26.99 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 126.027 1.731 . . . . 0.0 109.496 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -58.78 127.95 26.29 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.681 2.254 . . . . 0.0 110.76 173.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.2 ttmt -51.68 -35.96 44.6 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.191 0.996 . . . . 0.0 112.556 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -71.27 -43.31 67.42 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.962 1.705 . . . . 0.0 113.119 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.82 -15.9 61.62 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.419 1.088 . . . . 0.0 113.827 -173.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 34.4 pt -92.85 163.35 2.25 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.298 1.047 . . . . 0.0 112.162 170.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -83.6 -29.29 27.88 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.034 2.533 . . . . 0.0 111.765 178.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 33.7 ttm 60.73 58.95 2.26 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 126.031 1.732 . . . . 0.0 110.057 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 CA--C 1.535 0.382 0 C-N-CA 125.881 1.672 . . . . 0.0 108.676 -169.799 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 56.3 t . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 118.801 -0.618 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -54.58 150.04 36.93 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 124.049 3.166 . . . . 0.0 113.323 176.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -68.76 124.48 11.53 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.707 2.938 . . . . 0.0 110.252 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -77.01 146.54 25.83 Favored 'Trans proline' 0 CA--C 1.539 0.759 0 C-N-CA 123.279 2.653 . . . . 0.0 111.436 -176.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 84.0 t -93.52 114.73 63.73 Favored Pre-proline 0 CA--C 1.544 0.744 0 C-N-CA 125.535 1.534 . . . . 0.0 107.807 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -60.47 162.88 16.44 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.55 2.834 . . . . 0.0 113.651 178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -52.2 131.82 41.2 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.982 3.121 . . . . 0.0 112.471 172.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -51.12 -64.03 0.94 Allowed 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.383 1.473 . . . . 0.0 111.983 -175.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 88.33 2.41 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.718 1.607 . . . . 0.0 107.838 176.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 C-N-CA 126.988 2.115 . . . . 0.0 112.49 -175.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 111.799 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -82.34 102.44 11.24 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.836 1.654 . . . . 0.0 110.365 -176.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.95 127.6 43.08 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.562 1.545 . . . . 0.0 110.742 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 66.3 mt -79.85 119.13 28.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.605 1.162 . . . . 0.0 108.829 175.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.89 75.68 2.15 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.746 0.818 . . . . 0.0 111.192 175.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -89.79 46.2 1.34 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.893 1.277 . . . . 0.0 110.444 -178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 61.3 t -147.96 -60.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 C-N-CA 125.247 1.419 . . . . 0.0 110.927 -175.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.9 t70 96.02 118.3 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 128.863 2.865 . . . . 0.0 110.063 -171.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -116.78 106.62 13.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.731 1.213 . . . . 0.0 110.484 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -89.62 67.38 7.46 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.311 1.044 . . . . 0.0 110.392 -175.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.92 160.67 27.16 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 123.746 0.818 . . . . 0.0 110.639 169.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 53.9 m -147.04 52.67 1.08 Allowed 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.37 1.068 . . . . 0.0 111.215 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.88 151.32 18.03 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.856 1.262 . . . . 0.0 110.969 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -79.63 60.46 3.33 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.7 1.2 . . . . 0.0 110.383 175.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -159.84 -66.05 0.07 Allowed 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.482 1.913 . . . . 0.0 108.17 176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -75.33 111.33 10.48 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.386 1.074 . . . . 0.0 108.248 172.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.6 tp -66.07 125.26 24.91 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.197 1.399 . . . . 0.0 111.328 -169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.1 m -88.86 60.76 5.65 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.343 1.057 . . . . 0.0 111.402 -170.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -89.56 155.3 19.36 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.828 1.251 . . . . 0.0 112.22 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -122.96 -131.7 0.27 Allowed 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.814 1.246 . . . . 0.0 111.23 -171.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.1 mtt-85 -94.9 119.87 34.17 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.487 1.115 . . . . 0.0 112.127 -169.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.62 14.17 82.72 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.193 1.378 . . . . 0.0 114.516 177.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.27 119.34 11.36 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.534 1.534 . . . . 0.0 109.75 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.9 mm -83.65 90.69 2.55 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 124.776 1.231 . . . . 0.0 109.116 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 5.6 mt -89.89 116.18 27.76 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.885 1.674 . . . . 0.0 110.125 -174.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mttp -89.12 112.23 23.17 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.709 1.604 . . . . 0.0 106.868 -175.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.7 t -88.61 128.1 41.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-O 121.881 0.848 . . . . 0.0 110.342 -169.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 30.0 mt -89.82 -30.72 17.76 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.341 1.856 . . . . 0.0 110.817 -176.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -89.46 79.38 6.95 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.981 1.312 . . . . 0.0 108.842 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -51.16 -47.3 62.14 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.626 1.571 . . . . 0.0 112.144 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -67.06 84.98 0.13 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.437 1.495 . . . . 0.0 109.241 170.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.7 m -87.9 58.91 5.08 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.053 1.741 . . . . 0.0 111.548 -169.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -98.86 -53.02 3.4 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.848 1.659 . . . . 0.0 110.476 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 33.8 tp60 -61.41 103.76 0.34 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.819 1.648 . . . . 0.0 109.525 175.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -41.99 -43.06 3.02 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.66 2.384 . . . . 0.0 114.147 -169.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -89.82 100.58 13.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.12 0.968 . . . . 0.0 109.29 175.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -89.37 142.62 27.5 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.324 1.45 . . . . 0.0 108.567 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -89.29 124.14 34.14 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 170.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -127.01 158.13 37.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.889 1.676 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -107.35 124.29 49.6 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.647 1.579 . . . . 0.0 109.145 170.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 tt -75.76 -68.16 0.6 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.893 1.277 . . . . 0.0 110.591 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -172.06 -50.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 128.691 2.796 . . . . 0.0 108.918 178.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.68 -51.78 2.79 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.938 1.732 . . . . 0.0 112.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -128.79 159.5 35.52 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.036 1.334 . . . . 0.0 112.913 -171.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -112.55 144.76 41.49 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 127.503 2.321 . . . . 0.0 111.598 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 179.37 -170.15 41.58 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.055 0.836 . . . . 0.0 112.801 175.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -89.64 144.66 25.82 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.839 1.256 . . . . 0.0 112.205 -171.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.51 HD11 HG21 ' A' ' 53' ' ' ILE . 2.8 tt -134.89 111.61 11.23 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 128.694 2.798 . . . . 0.0 108.473 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -75.04 131.73 14.57 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.631 2.22 . . . . 0.0 110.349 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 21.3 pttm -50.4 -37.93 40.25 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.127 1.371 . . . . 0.0 114.096 -176.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -61.73 -26.53 68.11 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.939 1.296 . . . . 0.0 112.837 179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.18 20.37 6.03 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.974 1.71 . . . . 0.0 114.032 -175.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG21 HD11 ' A' ' 48' ' ' ILE . 14.6 pt -137.94 160.52 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 125.129 1.372 . . . . 0.0 111.283 172.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -63.38 -50.84 68.29 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.57 1.148 . . . . 0.0 110.206 169.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 18.8 ttt 74.5 -56.28 0.64 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 127.834 2.453 . . . . 0.0 112.048 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm . . . . . 0 CA--C 1.538 0.504 0 C-N-CA 125.871 1.668 . . . . 0.0 108.958 170.44 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 118.467 -0.778 . . . . 0.0 110.515 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.09 155.9 47.27 Favored 'Trans proline' 0 CA--C 1.544 1.001 0 C-N-CA 123.352 2.701 . . . . 0.0 111.507 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.25 117.76 5.06 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.946 3.097 . . . . 0.0 110.665 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.65 162.34 30.19 Favored 'Trans proline' 0 CA--C 1.539 0.726 0 C-N-CA 123.38 2.72 . . . . 0.0 111.344 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.09 114.9 55.96 Favored Pre-proline 0 CA--C 1.548 0.873 0 C-N-CA 125.036 1.335 . . . . 0.0 109.084 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.98 155.47 49.88 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 124.052 3.168 . . . . 0.0 113.133 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -68.21 137.35 40.14 Favored 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.19 2.593 . . . . 0.0 109.931 170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -60.99 -47.55 85.92 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 123.584 0.754 . . . . 0.0 112.63 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 32.1 ttp-105 58.24 64.26 1.54 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.641 1.176 . . . . 0.0 110.098 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--O 1.251 1.157 0 C-N-CA 126.098 1.759 . . . . 0.0 110.341 -169.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.5 tpt . . . . . 0 CA--C 1.54 0.576 0 CA-C-O 120.948 0.404 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.73 159.16 44.11 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.916 1.286 . . . . 0.0 112.664 -173.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.98 139.43 53.83 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.444 2.298 . . . . 0.0 110.598 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -79.1 135.72 25.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 C-N-CA 123.316 0.647 . . . . 0.0 110.16 173.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.35 108.24 4.7 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.176 0.99 . . . . 0.0 109.963 172.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -89.89 -38.2 13.87 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.954 0.901 . . . . 0.0 111.377 -173.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 62.8 t -133.63 142.01 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 C-N-CA 126.047 1.739 . . . . 0.0 109.007 175.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.7 99.31 0.59 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.97 1.308 . . . . 0.0 110.719 -178.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -82.63 137.72 34.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.56 0.744 . . . . 0.0 111.404 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -141.36 89.83 2.26 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.239 1.416 . . . . 0.0 110.29 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.13 165.43 11.24 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.042 1.737 . . . . 0.0 110.855 169.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.0 p -134.52 76.27 1.63 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.156 1.382 . . . . 0.0 109.976 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -160.5 -179.26 7.51 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.68 1.192 . . . . 0.0 111.793 -178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -79.11 -51.42 9.56 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.991 1.317 . . . . 0.0 110.414 172.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.32 -50.68 64.45 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.536 1.935 . . . . 0.0 113.055 -177.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.28 175.76 0.29 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.834 1.654 . . . . 0.0 114.772 -178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -149.54 103.53 3.28 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.608 1.563 . . . . 0.0 107.807 169.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.3 m -75.03 153.13 38.59 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.537 1.135 . . . . 0.0 110.987 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -160.35 159.64 31.43 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -178.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -86.12 150.71 24.23 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 127.852 2.461 . . . . 0.0 110.244 172.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -67.23 150.53 48.95 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.166 0.587 . . . . 0.0 112.359 173.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.02 -48.4 3.22 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 126.244 1.878 . . . . 0.0 112.46 -174.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -43.47 129.1 5.14 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.141 2.177 . . . . 0.0 112.201 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 77.1 mt -94.53 102.69 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 125.586 1.554 . . . . 0.0 108.528 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.9 mp -89.91 143.17 27.01 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.105 1.362 . . . . 0.0 110.89 -176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -89.81 98.06 11.55 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 126.091 1.757 . . . . 0.0 108.991 -176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.6 m -89.53 144.39 9.21 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 C-N-CA 124.141 0.976 . . . . 0.0 111.476 -172.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -116.82 -21.72 8.88 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.993 1.317 . . . . 0.0 113.226 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -150.16 169.18 21.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.291 1.036 . . . . 0.0 112.849 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -159.41 -51.05 0.06 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.176 1.79 . . . . 0.0 110.641 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 66.6 -17.3 0.12 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 127.345 2.258 . . . . 0.0 116.736 169.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t 66.84 43.86 2.21 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.429 1.892 . . . . 0.0 111.926 -175.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -167.16 -40.71 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.83 2.052 . . . . 0.0 110.428 177.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 28.1 tp60 -59.58 -56.17 25.25 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.983 1.313 . . . . 0.0 111.212 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 m-80 60.27 20.81 10.25 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.141 1.776 . . . . 0.0 113.681 -176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -144.58 112.56 6.34 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.763 2.025 . . . . 0.0 107.241 174.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -89.39 134.59 34.01 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -173.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.3 ttpt -88.8 78.6 7.59 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.29 148.33 22.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.669 1.587 . . . . 0.0 112.229 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -105.86 133.35 50.72 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.692 1.597 . . . . 0.0 109.924 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -88.15 -81.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.431 1.092 . . . . 0.0 109.614 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -172.08 58.35 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 127.552 2.341 . . . . 0.0 108.56 174.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 155.14 -41.06 0.61 Allowed Glycine 0 CA--C 1.535 1.282 0 C-N-CA 124.131 0.872 . . . . 0.0 113.115 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -129.45 140.52 51.28 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.033 1.333 . . . . 0.0 110.841 -176.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -104.37 129.63 52.28 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 127.386 2.274 . . . . 0.0 108.891 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -174.09 -178.85 44.33 Favored Glycine 0 CA--C 1.535 1.339 0 C-N-CA 123.602 0.62 . . . . 0.0 112.921 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -89.32 134.47 34.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.74 0.816 . . . . 0.0 113.164 -169.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 42.7 pt -122.86 130.06 24.76 Favored Pre-proline 0 CA--C 1.542 0.67 0 C-N-CA 126.832 2.053 . . . . 0.0 109.945 177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -75.29 134.08 16.92 Favored 'Trans proline' 0 CA--C 1.537 0.64 0 C-N-CA 123.995 3.13 . . . . 0.0 111.375 -176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -51.45 -36.15 42.8 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.73 1.612 . . . . 0.0 114.002 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -61.99 -45.81 92.01 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 124.336 1.055 . . . . 0.0 112.666 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -74.4 5.9 4.19 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.727 1.211 . . . . 0.0 113.923 -175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 7.9 pt -148.18 167.38 4.35 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 C-N-CA 125.554 1.541 . . . . 0.0 111.811 -171.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -98.4 169.5 9.5 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 124.509 1.124 . . . . 0.0 109.636 169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 4.9 mpp? -66.47 -47.02 74.44 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 107.335 -1.358 . . . . 0.0 107.335 169.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.3 tttt . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 126.776 2.03 . . . . 0.0 108.739 169.293 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 N--CA 1.482 1.157 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -75.06 168.39 24.9 Favored 'Trans proline' 0 CA--C 1.547 1.152 0 C-N-CA 123.554 2.836 . . . . 0.0 111.351 177.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -55.78 144.22 77.61 Favored 'Trans proline' 0 CA--C 1.544 1.016 0 C-N-CA 123.713 2.942 . . . . 0.0 113.511 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -76.85 114.77 3.9 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 123.183 2.588 . . . . 0.0 110.58 -179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 31.2 m -62.33 143.52 95.61 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 123.39 0.676 . . . . 0.0 110.695 172.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -72.75 150.45 50.17 Favored 'Trans proline' 0 CA--C 1.541 0.872 0 C-N-CA 123.393 2.729 . . . . 0.0 111.853 -170.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -71.26 121.36 7.72 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 123.667 2.911 . . . . 0.0 110.118 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -70.8 -77.67 0.08 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.279 1.031 . . . . 0.0 109.677 176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -164.72 85.27 0.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 126.207 1.803 . . . . 0.0 107.353 176.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.913 2.085 . . . . 0.0 111.638 -169.891 . . . . . . . . 1 1 . 1 stop_ save_