data_6vgb_residue ############################ # Computer software used # ############################ 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 6vgb _Structure_validation_residue.Date_analyzed 2020-08-14 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 ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.34 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 2.52 110.078 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.87 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 1.64 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.68 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.55 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.84 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.64 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.99 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.46 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.57 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 2.16 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.56 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 1.16 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 4.06 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 3.41 111.459 -176.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.421 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 2.14 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.21 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.66 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 1.29 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.67 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.518 HD12 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.73 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 2.41 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 2.33 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 2.14 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.59 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.9 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.66 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.474 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.36 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 3.37 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.84 111.82 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 1.51 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' C ' HD11 ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 2.57 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.8 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.98 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 2.35 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.43 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.86 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 2.25 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.69 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.95 108.923 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG23 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.71 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.87 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.98 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 2.23 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 2.31 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.483 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.89 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 4.0 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.686 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 1.58 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.68 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 2.02 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.88 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 4.3 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.64 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.54 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.86 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.52 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 4.16 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.78 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.59 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.97 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' HG22 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.59 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.44 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG23 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.95 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 4.42 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 1.35 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.84 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 2.35 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 1.2 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 2.18 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.84 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 1.01 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 1.1 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 2.13 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 3.32 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.58 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 1.18 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.58 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 2.27 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.518 ' OG ' HD12 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.64 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.34 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 118' ' ' PHE . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 2.52 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 25' ' ' VAL . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.87 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 1.64 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.68 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.55 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.84 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.64 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.99 109.602 174.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.46 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.57 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 2.16 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.56 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 1.16 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 4.06 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 3.41 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 2.14 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 1.21 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.66 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 1.29 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.67 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 23' ' ' LEU . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.73 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 2.41 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.603 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 2.33 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 49' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 2.14 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.59 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.9 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.66 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HA ' HD11 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB2' ' HZ3' ' A' ' 57' ' ' LYS . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.36 111.993 -173.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 3.37 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.84 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 1.51 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 2.57 111.988 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 64' ' ' LYS . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.8 109.519 172.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.98 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 2.35 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.43 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.86 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 2.25 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.69 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.95 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.71 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.87 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.98 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 2.23 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 2.31 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.89 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 4.0 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 1.58 112.248 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.68 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 2.02 109.448 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.88 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 4.3 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.64 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.54 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.86 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.52 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 4.16 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.78 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.59 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.97 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.59 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.44 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.95 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 4.42 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 1.35 111.956 -172.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.84 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 2.35 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 1.2 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 2.18 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.84 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 1.01 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 1.1 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 2.13 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 3.32 110.629 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.58 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 111' ' ' ALA . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 1.18 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.58 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 2.27 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.46 ' HG ' ' HA ' ' A' ' 116' ' ' LYS . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.64 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.34 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 2.52 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.87 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 1.64 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.68 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.55 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.84 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.406 ' HG ' ' CD ' ' A' ' 77' ' ' GLU . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.64 109.212 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.48 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.99 109.382 167.191 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.46 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.57 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 2.16 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.56 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 1.16 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 4.06 111.106 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 3.41 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 2.14 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 1.21 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.66 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 1.29 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.67 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.73 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 2.41 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 2.33 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 2.14 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.59 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.9 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.66 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.36 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 3.37 111.806 -172.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.84 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 1.51 111.271 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 2.57 111.076 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.8 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.98 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 2.35 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.43 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.86 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 2.25 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.69 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.95 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 24' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.71 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.87 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 2.23 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 2.31 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.89 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 4.0 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 1.58 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.68 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 2.02 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.88 109.509 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 4.3 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.64 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.54 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.86 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.52 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 4.16 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.78 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.59 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.97 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.59 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.44 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.95 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 4.42 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 1.35 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.84 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 2.35 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 1.2 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 2.18 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.84 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.441 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 1.01 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 1.1 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 2.13 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 3.32 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.58 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 1.18 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.58 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 2.27 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.455 ' CB ' HD23 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.64 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.461 ' C ' HG12 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.34 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 2.52 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.87 108.985 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 1.64 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.68 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.55 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.84 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.64 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.99 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.46 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.57 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 2.16 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.56 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 1.16 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 4.06 110.608 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 3.41 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 2.14 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.66 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 1.29 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.67 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.73 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 2.41 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.671 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 2.33 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 2.14 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.59 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.9 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.66 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.519 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.36 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 3.37 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.84 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 1.51 111.265 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 2.57 111.577 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.8 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.98 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 2.35 111.359 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.43 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.86 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 2.25 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.69 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.95 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.71 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.87 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.98 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 2.23 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 2.31 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.89 109.322 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 4.0 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 1.58 111.801 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.68 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 2.02 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.88 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 4.3 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.64 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.54 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.86 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.52 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 4.16 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.59 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.97 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.59 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.44 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.95 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 4.42 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 1.35 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.84 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 2.35 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 1.2 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 2.18 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.84 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 1.01 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 1.1 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 2.13 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 3.32 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.58 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 1.18 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.58 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.403 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 2.27 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.64 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.34 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 2.52 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.87 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 1.64 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.68 108.31 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.55 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.84 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' HB2' ' A' ' 77' ' ' GLU . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.64 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.99 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.537 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.46 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.57 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 2.16 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.56 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 1.16 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 4.06 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 3.41 110.901 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 2.14 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 1.21 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.66 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.29 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.67 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.73 110.065 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 2.41 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 49' ' ' LEU . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 2.33 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 2.14 110.406 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.59 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.9 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.66 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' A' ' 92' ' ' LYS . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.36 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 3.37 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.84 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' HD23 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 1.51 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 2.57 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.8 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.98 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 2.35 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.43 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.86 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 2.25 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.95 109.123 178.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.71 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.87 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.98 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 2.23 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 2.31 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.447 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.437 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.89 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 4.0 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.519 ' O ' HG21 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 1.58 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.68 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 2.02 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.88 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 4.3 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.64 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.54 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.86 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.52 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 4.16 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.78 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.59 109.073 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.97 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.59 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.44 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.95 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 4.42 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.506 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 1.35 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.84 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 2.35 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 1.2 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 2.18 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.84 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 1.01 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.1 110.609 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 2.13 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 3.32 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.472 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.58 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 111' ' ' ALA . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 1.18 110.855 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.58 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 2.27 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.64 111.633 -176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.34 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 2.52 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.87 109.405 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 1.64 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.68 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.55 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.84 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.64 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.99 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.46 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.57 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 2.16 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.56 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 1.16 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 4.06 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 3.41 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 2.14 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 1.21 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.66 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 1.29 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.67 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.73 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 2.41 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 2.33 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 49' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 2.14 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.59 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.9 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.409 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.66 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.36 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 3.37 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.84 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 1.51 111.235 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 2.57 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.8 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.98 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 2.35 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.43 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.86 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 2.25 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.69 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.95 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.71 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.87 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.98 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 2.23 110.181 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 2.31 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.89 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 4.0 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 1.58 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.68 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.52 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 2.02 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.88 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 4.3 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.64 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.54 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.86 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.52 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 4.16 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.78 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.59 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.97 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.59 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.44 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.95 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 4.42 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.532 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 1.35 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.84 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 2.35 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 1.2 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 2.18 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.84 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 1.01 112.708 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 1.1 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HB2' ' HZ3' ' A' ' 112' ' ' LYS . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 2.13 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 3.32 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.58 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 1.18 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.457 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.58 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 2.27 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.64 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.34 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 2.52 109.632 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.87 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 1.64 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.68 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.55 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.84 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.64 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.99 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.57 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 2.16 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.56 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 1.16 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 4.06 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 3.41 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 2.14 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 1.21 110.432 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.66 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 1.29 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.67 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD22 ' OG ' ' A' ' 119' ' ' SER . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.73 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 2.41 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 2.33 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 2.14 110.793 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.59 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.9 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.423 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.66 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.36 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 58' ' ' LYS . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 3.37 111.684 -171.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.84 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 1.51 111.25 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 2.57 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.8 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.98 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 2.35 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.43 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.86 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 2.25 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.69 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.95 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.71 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.87 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.98 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 2.31 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.495 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.89 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 4.0 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.58 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.68 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 2.02 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.88 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.453 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 4.3 111.386 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.54 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.86 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.52 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 4.16 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.78 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.59 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.97 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.59 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.44 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.4 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.95 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 4.42 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.35 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.84 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 2.35 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 1.2 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 2.18 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.84 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 1.01 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 1.1 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 2.13 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 3.32 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.58 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 1.18 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.58 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 2.27 110.385 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.405 ' OG ' HD22 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.64 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.448 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.34 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 2.52 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.87 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 1.64 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.68 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.55 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.84 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.64 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.99 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.583 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.46 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.57 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 2.16 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.56 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 1.16 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 4.06 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 3.41 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.475 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 2.14 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 1.21 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.66 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 1.29 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.67 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.73 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 2.41 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 2.33 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 2.14 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.59 109.718 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' OD1' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.9 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.66 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.434 ' OD1' HD23 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.36 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 3.37 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.84 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 1.51 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 2.57 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.8 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.98 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 2.35 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.43 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.86 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 2.25 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.69 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.95 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.71 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.87 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.98 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 2.23 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 2.31 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.474 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.89 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 4.0 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 1.58 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.68 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 2.02 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.88 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 4.3 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.64 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.54 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.86 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.52 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 4.16 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.78 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.59 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 m120 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.97 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.59 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.44 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.95 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 4.42 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.523 ' HA ' HG12 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 1.35 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.84 109.988 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 2.35 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 1.2 111.384 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.474 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 2.18 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.84 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 1.01 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 1.1 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 2.13 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 3.32 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.58 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 1.18 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.58 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 2.27 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.64 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.34 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 2.52 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.87 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 1.64 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.68 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.55 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HZ2' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.84 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.64 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.99 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.46 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.57 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 2.16 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.56 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 1.16 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 4.06 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 3.41 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 2.14 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 1.21 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.66 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.67 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.73 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 2.41 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 2.33 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 2.14 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.59 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.9 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.66 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.36 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 3.37 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.84 110.875 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.437 ' O ' HD12 ' A' ' 66' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 1.51 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 2.57 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.8 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.98 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 2.35 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.43 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.86 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 2.25 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.69 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.95 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.71 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.87 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.98 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 2.23 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 2.31 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.89 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 4.0 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.474 ' O ' HG21 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.53 ' N ' ' HZ2' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 1.58 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.68 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 2.02 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.88 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 4.3 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.64 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.54 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.86 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.52 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 4.16 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.78 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.59 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.97 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.59 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.44 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.95 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 4.42 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.525 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 1.35 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.84 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 2.35 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 1.2 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 2.18 110.274 169.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.84 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 1.01 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 1.1 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 2.13 111.339 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 3.32 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.58 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 1.18 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.58 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 2.27 111.483 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.64 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.34 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 2.52 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.87 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 1.64 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.68 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.55 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CZ3' ' HB3' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.84 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.64 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.99 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.46 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.57 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 2.16 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.56 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 1.16 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 4.06 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 3.41 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 2.14 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 1.21 110.529 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.66 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 1.29 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.67 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.73 110.382 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 2.41 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 2.33 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 2.14 110.59 -173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.59 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.9 110.975 -172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.66 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.36 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 3.37 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.84 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 1.51 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 2.57 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.8 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.98 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.613 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 2.35 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.43 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.86 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 2.25 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.69 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.95 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.71 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.87 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.98 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 2.23 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 2.31 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.89 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 4.0 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' HG22 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 1.58 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.68 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 2.02 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.88 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 4.3 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.64 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.54 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.86 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.52 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 4.16 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.78 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.59 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.97 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.59 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.44 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.95 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 4.42 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.454 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 1.35 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.84 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 2.35 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 1.2 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 2.18 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.84 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 1.01 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 1.1 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 2.13 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 3.32 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.58 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 1.18 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.58 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 2.27 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.64 109.661 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.34 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' HD23 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 2.52 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.87 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 1.64 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.68 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 51' ' ' THR . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.55 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.423 ' HB3' HD11 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.84 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.64 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.99 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.46 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.57 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 2.16 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.56 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 1.16 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 4.06 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 3.41 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 2.14 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.21 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.66 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 1.29 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.67 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.73 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 2.41 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 2.33 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 2.14 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.59 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.9 108.595 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.66 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.429 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.36 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 3.37 110.711 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.84 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.51 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 2.57 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.8 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.98 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 2.35 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.43 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.86 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 2.25 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.69 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LEU . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.95 109.668 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.71 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.491 HD12 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.87 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.98 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 2.23 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 2.31 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 80' ' ' LYS . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.89 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.411 ' H ' HG23 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 4.0 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 1.58 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.68 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 2.02 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.88 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 4.3 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.64 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.54 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.86 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.52 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 4.16 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.78 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.59 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.97 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.59 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.44 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.95 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 4.42 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.503 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 1.35 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.491 ' HE ' HD12 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.84 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 2.35 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 1.2 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 2.18 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.84 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 1.01 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 1.1 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 2.13 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 3.32 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.58 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 1.18 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.58 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 2.27 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.64 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.34 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 2.52 109.593 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.87 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 1.64 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.68 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.55 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CZ3' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.84 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.64 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.99 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.46 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.57 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 2.16 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.56 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 1.16 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 4.06 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 3.41 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 2.14 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 1.21 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.66 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 1.29 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.67 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD22 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.73 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 2.41 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 2.33 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 2.14 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.59 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.9 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.66 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.36 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 3.37 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.595 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.84 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.463 ' O ' HD22 ' A' ' 66' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 1.51 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 2.57 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.8 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.98 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 2.35 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.43 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.86 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 2.25 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.69 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.95 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.71 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.87 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.98 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 2.23 109.291 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.635 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 2.31 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.89 110.876 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 4.0 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.48 ' HB3' ' CD1' ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 1.58 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.68 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 2.02 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.88 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 4.3 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.64 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.54 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.86 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.52 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 4.16 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.78 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.59 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.97 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.59 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.44 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.95 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 4.42 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 1.35 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.84 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 2.35 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 1.2 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 2.18 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.84 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 1.01 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.1 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.13 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 3.32 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.58 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 1.18 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.58 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 2.27 110.956 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD22 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.64 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' HD23 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.34 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 2.52 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.87 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 1.64 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.68 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.55 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 82' ' ' ALA . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.84 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.64 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.99 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.46 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.57 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 2.16 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.56 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 1.16 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 4.06 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 3.41 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 1.21 110.693 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.66 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.29 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.67 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.73 110.015 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 2.41 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 2.33 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 2.14 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.59 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.9 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.66 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.36 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 3.37 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.84 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 1.51 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 2.57 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.8 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.98 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.593 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 2.35 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.43 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.86 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 2.25 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.69 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.95 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.52 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.71 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.87 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.98 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 2.23 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 2.31 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.89 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 4.0 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.688 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 1.58 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.68 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 2.02 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.88 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 4.3 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.64 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.54 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.86 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.52 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 4.16 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.78 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.59 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.97 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.59 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.44 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.95 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 4.42 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.445 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 1.35 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.84 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 2.35 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 1.2 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 2.18 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.84 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 1.01 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 1.1 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 2.13 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 3.32 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.58 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.18 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 2.27 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.64 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.496 ' C ' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.34 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HB2' HD22 ' A' ' 47' ' ' LEU . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 2.52 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD21 HD11 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.87 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.709 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 1.64 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.68 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.499 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.84 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.64 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.99 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.46 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.57 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 2.16 109.261 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.56 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 1.16 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 4.06 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 3.41 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 2.14 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 1.21 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.66 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 1.29 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m120 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.67 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.73 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 2.41 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.709 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 2.33 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 50' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 2.14 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.59 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 54' ' ' THR . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.9 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' O ' HD13 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 52' ' ' LEU . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.66 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' HB2' HD13 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.36 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 3.37 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.84 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 1.51 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 2.57 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.8 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.98 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 2.35 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.43 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.86 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 2.25 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.496 HG22 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.69 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.95 110.049 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 HD11 HD21 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.71 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.87 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.98 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.499 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 2.23 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 2.31 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.481 HG21 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.89 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.481 ' H ' HG21 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 4.0 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HA ' HG11 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 1.58 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.68 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 2.02 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.88 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 4.3 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.64 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.54 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.86 111.186 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.52 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 4.16 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.78 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.59 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.3 m120 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.97 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.407 HD11 HD23 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.59 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.44 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.95 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 4.42 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 1.35 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.84 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 2.35 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.2 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 2.18 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.84 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 1.01 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 1.1 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 2.13 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 3.32 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.58 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 1.18 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.58 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 2.27 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.64 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.34 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 2.52 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.87 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 1.64 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.68 108.633 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.55 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.84 110.415 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.64 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.99 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.46 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.57 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 2.16 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.56 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 1.16 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 4.06 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 3.41 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 2.14 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 1.21 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.66 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 1.29 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.67 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.73 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 2.41 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 2.33 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 2.14 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.59 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.9 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.66 109.756 174.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.36 110.97 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 3.37 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.84 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.587 ' O ' HD21 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 1.51 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 2.57 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.8 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.98 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 2.35 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.43 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.86 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 2.25 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.69 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.95 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.71 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.87 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.497 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.98 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 2.23 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 2.31 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.459 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.89 108.831 171.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 4.0 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' HG11 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 1.58 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.68 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 2.02 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.88 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 4.3 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.64 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.54 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.554 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.86 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.52 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 4.16 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.78 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.59 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.97 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.59 110.556 -173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.44 112.1 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.95 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 4.42 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.497 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 1.35 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.84 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 2.35 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 1.2 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.459 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 2.18 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.84 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 1.01 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 1.1 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 2.13 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 3.32 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.426 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.58 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 1.18 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.58 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 2.27 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.64 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.34 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 2.52 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.87 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 1.64 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.68 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.55 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.84 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.64 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.99 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.46 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.57 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 2.16 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.56 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 1.16 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 4.06 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 3.41 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 2.14 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 1.21 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.66 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 1.29 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.67 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.73 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 2.41 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.747 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 2.33 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 2.14 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.59 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.9 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.66 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.36 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 3.37 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.84 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 1.51 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 2.57 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.8 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.98 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 2.35 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.43 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.86 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 2.25 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG11 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.69 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.442 ' O ' HD11 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.95 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.71 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.87 109.442 175.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.98 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 2.23 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 2.31 111.016 -168.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.89 109.276 173.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 4.0 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 1.58 111.695 -175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.68 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 2.02 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.88 110.85 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 4.3 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.64 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.54 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.86 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.52 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 4.16 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.59 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.97 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.59 110.15 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.44 112.392 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.95 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 4.42 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.526 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 1.35 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.84 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 2.35 110.402 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 1.2 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 2.18 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.84 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 1.01 113.383 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 1.1 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 2.13 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 3.32 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.58 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 1.18 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.58 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 2.27 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.64 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.34 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 2.52 111.499 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.87 108.859 172.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 1.64 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.68 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.55 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.406 ' HB3' HD13 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.84 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.64 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.99 109.172 167.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.46 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.57 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 2.16 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.56 111.119 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 1.16 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 4.06 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 3.41 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 2.14 109.96 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.21 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.66 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 1.29 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.67 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.73 109.886 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 2.41 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 2.33 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 2.14 110.932 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.59 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.9 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.66 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.36 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 3.37 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.84 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 1.51 111.167 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 2.57 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.8 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.98 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 2.35 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.43 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.86 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 2.25 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.69 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.95 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.71 111.421 -173.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.87 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.98 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 2.23 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 2.31 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.89 109.996 172.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 4.0 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.419 ' HB3' ' OG1' ' A' ' 79' ' ' THR . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.58 111.306 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.68 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.88 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 4.3 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.64 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.54 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.86 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.52 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 4.16 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.78 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.59 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.97 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.59 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.44 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.95 110.877 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 4.42 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 1.35 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.84 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 2.35 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 1.2 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 2.18 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.525 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.84 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 1.01 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 1.1 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 2.13 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 3.32 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.58 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 1.18 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.58 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 2.27 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.64 112.181 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.34 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 2.52 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.87 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 1.64 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.68 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.55 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.84 109.494 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.417 ' O ' HD13 ' A' ' 35' ' ' ILE . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.64 109.496 173.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.99 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.46 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.57 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 2.16 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 29' ' ' SER . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.56 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 1.16 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 4.06 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 3.41 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 2.14 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 1.21 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.66 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 1.29 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.67 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.73 110.64 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 2.41 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 2.33 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 2.14 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.59 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.9 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.66 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.36 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 3.37 110.482 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.84 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 1.51 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 2.57 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.8 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.98 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 2.35 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.43 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.86 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 2.25 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.69 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.95 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.71 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.87 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.98 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 2.23 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 2.31 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.89 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HB2' ' HZ1' ' A' ' 80' ' ' LYS . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 4.0 111.187 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 1.58 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.68 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 2.02 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.88 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 4.3 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.64 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.54 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.86 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.52 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 4.16 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.78 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.59 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.97 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.59 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.44 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.95 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 4.42 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.517 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 1.35 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.84 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 2.35 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 1.2 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.469 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 2.18 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.84 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 1.01 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 1.1 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 2.13 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 3.32 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.58 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 1.18 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.58 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 2.27 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.64 111.153 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.34 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 2.52 110.674 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.87 108.964 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 1.64 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.68 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.55 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.84 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.64 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.99 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.46 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.57 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 2.16 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.56 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 1.16 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 4.06 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 3.41 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 2.14 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 1.21 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.66 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 1.29 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.67 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.73 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 2.41 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 2.33 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 2.14 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.59 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.9 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.66 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.36 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 3.37 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.84 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 1.51 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 2.57 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.8 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.98 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 2.35 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.43 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.666 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.86 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 2.25 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.69 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.95 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.71 111.088 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.87 108.914 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.98 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 2.23 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 2.31 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.89 109.47 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 4.0 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 1.58 111.843 -174.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.68 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 2.02 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.88 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 4.3 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.64 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.54 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.86 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.52 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 4.16 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.59 110.159 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.97 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.59 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.44 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.95 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 4.42 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 1.35 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.458 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.84 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 2.35 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 1.2 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 2.18 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.84 109.418 -176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 1.01 112.005 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 1.1 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 2.13 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 3.32 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.58 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 1.18 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.659 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.58 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 2.27 111.109 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.64 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.34 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 2.52 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.87 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.797 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 1.64 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.68 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.55 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.84 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.64 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.99 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.472 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.46 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.57 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 2.16 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.56 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 1.16 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 4.06 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 3.41 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 2.14 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 1.21 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.66 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 1.29 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.67 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.73 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 2.41 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.797 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 2.33 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 2.14 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.59 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.9 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.66 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.633 ' OD2' HD13 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.36 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 3.37 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.633 HD13 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.84 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 1.51 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 2.57 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.8 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.98 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 2.35 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.43 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.86 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 2.25 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.69 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.95 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.71 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.87 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.98 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 75' ' ' LEU . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 2.23 109.126 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 2.31 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 4.0 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 1.58 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.68 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 2.02 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.88 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 4.3 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.64 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.54 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.86 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.52 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 4.16 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.78 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.59 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.97 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.59 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.44 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.95 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 4.42 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 1.35 111.013 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.84 110.179 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 2.35 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 1.2 111.233 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 2.18 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.84 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 1.01 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 1.1 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 2.13 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 3.32 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.58 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 1.18 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.58 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 2.27 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.64 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.34 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 2.52 110.078 -177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.87 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 1.64 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.495 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.68 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.55 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.84 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.64 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.99 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.462 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.46 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.462 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.57 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 2.16 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.648 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.56 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 1.16 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 4.06 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HB2' ' HZ3' ' A' ' 40' ' ' LYS . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 3.41 111.459 -176.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.421 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 2.14 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.446 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 1.21 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.66 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 1.29 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.67 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.518 HD12 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.73 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 2.41 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.653 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 2.33 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD21 HD11 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 2.14 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.59 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.9 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.66 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.474 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.474 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.36 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 3.37 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.84 111.82 -172.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.414 HD11 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 1.51 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' C ' HD11 ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 2.57 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.8 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.98 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 2.35 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.43 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.86 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 2.25 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.69 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.446 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.95 108.923 174.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG23 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.71 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.87 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.98 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 2.23 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 2.31 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.483 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.89 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 4.0 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.686 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 1.58 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.686 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.68 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 2.02 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.88 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 4.3 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.64 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.54 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.86 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.52 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.505 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 4.16 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.78 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.59 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.97 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.405 ' O ' HG22 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.59 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.44 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG23 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.95 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 4.42 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 1.35 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.84 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 2.35 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 1.2 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 2.18 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.84 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 1.01 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 1.1 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 2.13 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 3.32 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.58 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 1.18 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.58 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 2.27 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.518 ' OG ' HD12 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.64 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.446 ' CD ' ' HZ1' ' A' ' 71' ' ' LYS . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.34 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HG ' ' HB3' ' A' ' 118' ' ' PHE . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 2.52 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD23 ' N ' ' A' ' 25' ' ' VAL . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.87 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.603 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 1.64 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.68 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.55 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.84 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.64 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.99 109.602 174.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.52 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.46 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.57 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 2.16 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.56 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 1.16 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 4.06 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 3.41 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 2.14 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 1.21 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.66 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 1.29 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.67 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.465 HD21 ' HB3' ' A' ' 23' ' ' LEU . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.73 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 2.41 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.603 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 2.33 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 49' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 2.14 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.59 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.499 HD21 ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.9 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.481 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.66 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HA ' HD11 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB2' ' HZ3' ' A' ' 57' ' ' LYS . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.36 111.993 -173.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 3.37 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.84 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 1.51 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 2.57 111.988 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.543 ' HZ3' ' HB3' ' A' ' 64' ' ' LYS . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.8 109.519 172.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.98 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.503 ' HB3' HG23 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 2.35 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.43 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.496 ' O ' HG21 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.86 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 2.25 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.503 HG23 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.69 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' O ' HD23 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.95 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.71 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.49 HD11 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.87 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.98 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 2.23 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.533 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 2.31 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.89 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 4.0 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 1.58 112.248 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.68 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 2.02 109.448 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.88 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 4.3 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.64 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.54 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.86 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.52 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 4.16 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.78 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.59 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.97 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.59 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.44 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.95 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.581 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 4.42 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 1.35 111.956 -172.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.84 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 2.35 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 1.2 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 2.18 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.84 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 1.01 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 1.1 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 2.13 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 3.32 110.629 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.58 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 111' ' ' ALA . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 1.18 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.58 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.49 ' CE1' HD11 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 2.27 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.46 ' HG ' ' HA ' ' A' ' 116' ' ' LYS . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.64 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.34 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 2.52 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.404 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.87 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 1.64 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.68 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.55 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.84 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' HG ' ' CD ' ' A' ' 77' ' ' GLU . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.64 109.212 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.48 HD21 ' N ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.99 109.382 167.191 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.46 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.57 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 2.16 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.56 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 1.16 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 39' ' ' ARG . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 4.06 111.106 -177.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 3.41 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 2.14 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 1.21 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.66 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 1.29 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.67 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 HD23 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.73 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 2.41 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.64 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 2.33 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.404 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 2.14 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.455 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.59 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.9 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.66 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.36 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 3.37 111.806 -172.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.84 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 1.51 111.271 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 2.57 111.076 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.8 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.98 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 2.35 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.43 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.86 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 2.25 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.69 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.477 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.95 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 24' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.71 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.87 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.98 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 2.23 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 2.31 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' CD ' ' HG ' ' A' ' 29' ' ' SER . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.89 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 4.0 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.464 ' O ' HG22 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 1.58 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.68 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 2.02 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.88 109.509 177.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 4.3 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.411 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.64 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.54 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.86 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.52 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.467 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 4.16 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.78 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.59 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.97 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.59 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.44 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.95 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 4.42 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 1.35 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.84 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 2.35 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 1.2 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.443 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 2.18 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.443 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.84 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.441 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 1.01 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 1.1 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 2.13 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 3.32 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.58 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 1.18 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.58 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 2.27 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.455 ' CB ' HD23 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.64 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.461 ' C ' HG12 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.34 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 2.52 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.87 108.985 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.671 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 1.64 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.68 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.55 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.84 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.64 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.99 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.436 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.46 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.57 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 2.16 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.56 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 1.16 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 4.06 110.608 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 3.41 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 2.14 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 1.21 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.66 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 1.29 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.67 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.73 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 2.41 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.671 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 2.33 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 2.14 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.59 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.9 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.66 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.36 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 3.37 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.519 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.84 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 1.51 111.265 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 2.57 111.577 -179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.8 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.98 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 2.35 111.359 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.43 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.86 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 2.25 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 HG12 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.69 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.95 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.71 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.87 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.98 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 2.23 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 2.31 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.89 109.322 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 4.0 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 1.58 111.801 -175.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.68 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 2.02 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.88 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 4.3 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.64 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.54 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.86 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.52 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 4.16 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.78 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.59 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.97 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.59 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.44 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.95 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 4.42 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 1.35 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.84 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 2.35 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 1.2 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.469 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 2.18 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.84 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 1.01 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 1.1 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.412 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 2.13 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 3.32 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.58 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 1.18 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.548 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.58 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.403 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 2.27 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.64 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.34 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 2.52 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.87 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 1.64 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.68 108.31 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.55 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.84 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.447 ' OG ' ' HB2' ' A' ' 77' ' ' GLU . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.64 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.99 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.441 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.46 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.57 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 2.16 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 31' ' ' ASP . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.56 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 1.16 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 4.06 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.469 ' HB3' ' HZ3' ' A' ' 40' ' ' LYS . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 3.41 110.901 177.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 2.14 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 1.21 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.66 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 1.29 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.67 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.73 110.065 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 2.41 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.544 HD13 ' O ' ' A' ' 49' ' ' LEU . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 2.33 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 2.14 110.406 -177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.59 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.9 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.66 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' CG ' ' HZ3' ' A' ' 92' ' ' LYS . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.432 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.36 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 3.37 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.84 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' HD23 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 1.51 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 2.57 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.8 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.98 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.482 HD23 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 2.35 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.43 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.86 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 2.25 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.69 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.95 109.123 178.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.71 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.87 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.506 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.98 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 2.23 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 2.31 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.447 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.437 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.89 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 4.0 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.519 ' O ' HG21 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.437 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 1.58 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.68 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 2.02 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.88 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.469 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 4.3 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.547 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.64 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.54 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.409 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.86 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.52 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 4.16 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.78 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.59 109.073 175.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.97 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.59 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.44 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.95 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 4.42 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.506 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 1.35 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.84 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 2.35 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 1.2 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 2.18 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.84 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 1.01 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 1.1 110.609 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 2.13 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 3.32 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.472 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.58 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 111' ' ' ALA . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 1.18 110.855 -178.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.58 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 2.27 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.64 111.633 -176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.34 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 2.52 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.87 109.405 175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.525 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 1.64 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.485 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.68 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.55 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.513 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.84 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.64 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.99 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.491 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.46 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.57 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 2.16 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.56 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 1.16 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 4.06 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 3.41 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 2.14 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 1.21 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.66 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 1.29 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.67 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.73 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 2.41 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.525 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 2.33 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 49' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 2.14 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.59 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.513 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.9 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.409 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.66 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.36 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 3.37 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.84 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 1.51 111.235 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 2.57 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.8 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.98 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 2.35 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.43 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.86 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 2.25 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.69 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.95 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.71 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.87 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.98 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 2.23 110.181 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 2.31 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.686 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.89 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 4.0 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' O ' HG11 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 1.58 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.68 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.52 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 2.02 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.88 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 4.3 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.64 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.54 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.86 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.52 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 4.16 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.78 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.59 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.97 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.59 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.44 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.95 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 4.42 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.532 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 1.35 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.84 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 2.35 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.686 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 1.2 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.404 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 2.18 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.84 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 1.01 112.708 -178.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.455 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 1.1 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.558 ' HB2' ' HZ3' ' A' ' 112' ' ' LYS . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 2.13 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.501 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 3.32 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.58 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 1.18 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.457 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.58 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 2.27 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.457 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.64 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.34 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 2.52 109.632 179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.87 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.625 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 1.64 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.68 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.55 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.84 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.64 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.99 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.46 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.57 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 2.16 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.56 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 1.16 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 4.06 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 3.41 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 2.14 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 1.21 110.432 175.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.66 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 1.29 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.67 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD22 ' OG ' ' A' ' 119' ' ' SER . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.73 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 2.41 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.625 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 2.33 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 2.14 110.793 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.59 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.9 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.423 ' C ' HD22 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.66 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.36 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HB3' ' HZ3' ' A' ' 58' ' ' LYS . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 3.37 111.684 -171.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.84 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 1.51 111.25 -177.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 2.57 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.8 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.98 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 2.35 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.43 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.86 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 2.25 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.69 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.95 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.4 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.71 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.87 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.98 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 2.23 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 2.31 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.495 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.89 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 4.0 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.58 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.68 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 2.02 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.88 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.453 ' HB2' ' HZ2' ' A' ' 87' ' ' LYS . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 4.3 111.386 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.64 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.54 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.86 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.52 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 4.16 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.78 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.59 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.97 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.59 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.44 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.4 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.95 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 4.42 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.35 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.84 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 2.35 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 1.2 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.495 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 2.18 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.84 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.471 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 1.01 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 1.1 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 2.13 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 3.32 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.58 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 1.18 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.58 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 2.27 110.385 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.405 ' OG ' HD22 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.64 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.448 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.34 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 2.52 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD13 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.87 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.635 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 1.64 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.68 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.55 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.84 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.64 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.99 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.583 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.46 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.57 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 2.16 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.56 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.474 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 1.16 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 4.06 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 3.41 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.475 ' HE1' ' HA ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 2.14 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 1.21 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.66 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 1.29 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.67 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.73 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 2.41 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.635 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 2.33 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.448 HD11 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 2.14 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.59 109.718 174.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' OD1' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.9 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.66 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.434 ' OD1' HD23 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.36 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 3.37 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.84 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 1.51 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 2.57 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.8 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.98 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 2.35 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.43 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.86 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 2.25 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.69 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.95 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.71 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.497 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.87 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.523 HG12 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.98 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 2.23 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 2.31 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.474 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.89 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 4.0 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 1.58 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.68 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 2.02 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.88 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 4.3 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.64 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.54 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.86 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.52 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 4.16 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.78 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.59 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 m120 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.97 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.59 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.44 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.95 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 4.42 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.523 ' HA ' HG12 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 1.35 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.84 109.988 174.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 2.35 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 1.2 111.384 -177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.474 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 2.18 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.84 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.5 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 1.01 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.509 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 1.1 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.5 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 2.13 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 3.32 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.58 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 1.18 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.58 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.55 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.497 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 2.27 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.414 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.64 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.34 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 47' ' ' LEU . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 2.52 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.87 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.529 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 1.64 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.68 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.55 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.53 ' HZ2' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.84 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.64 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.99 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.46 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.57 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 2.16 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.56 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 1.16 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 4.06 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 3.41 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 2.14 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 1.21 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.66 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.416 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 1.29 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.67 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.556 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.73 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 2.41 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.529 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 2.33 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD22 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 2.14 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.59 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.9 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.66 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.36 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 3.37 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.84 110.875 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.437 ' O ' HD12 ' A' ' 66' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 1.51 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 2.57 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.8 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.98 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 2.35 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.43 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.86 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 2.25 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.69 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.464 ' O ' HD11 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.95 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.71 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.87 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.525 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.98 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.456 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 2.23 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.519 HD12 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 2.31 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.89 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 4.0 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.474 ' O ' HG21 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.53 ' N ' ' HZ2' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 1.58 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.68 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 2.02 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.88 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 4.3 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.64 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.54 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.86 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.52 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 4.16 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.78 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.59 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.97 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.59 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.44 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.95 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 4.42 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.525 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 1.35 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.84 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 2.35 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 1.2 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 2.18 110.274 169.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.84 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 1.01 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 1.1 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 2.13 111.339 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 3.32 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.58 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 1.18 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.58 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 2.27 111.483 177.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.64 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.34 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.409 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 2.52 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.87 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 1.64 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.68 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.55 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.472 ' CZ3' ' HB3' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.84 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.64 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.99 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.46 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.57 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 2.16 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.56 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 1.16 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 4.06 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.418 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 3.41 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 2.14 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 1.21 110.529 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.66 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 1.29 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.67 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.73 110.382 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 2.41 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.511 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 2.33 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 2.14 110.59 -173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.59 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.9 110.975 -172.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.504 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.66 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.573 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.36 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 3.37 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.84 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.573 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 1.51 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD12 ' C ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 2.57 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.8 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.98 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.613 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 2.35 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.43 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.86 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 2.25 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.69 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.95 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.71 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.87 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.98 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 2.23 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 2.31 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.89 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 4.0 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.423 ' O ' HG22 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' HB3' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 1.58 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' HB2' ' HZ1' ' A' ' 84' ' ' LYS . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.68 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.555 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 2.02 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.88 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 4.3 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.555 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.64 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.54 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.86 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.52 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 4.16 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.78 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.59 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.97 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.59 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.44 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.95 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 4.42 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.454 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 1.35 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.84 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 2.35 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 1.2 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 2.18 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.84 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.492 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 1.01 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.507 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 1.1 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 2.13 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 3.32 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.58 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 1.18 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.515 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.58 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.409 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 2.27 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.64 109.661 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.34 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' HB2' HD23 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 2.52 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.87 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 1.64 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.68 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' O ' ' HA ' ' A' ' 51' ' ' THR . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.55 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.423 ' HB3' HD11 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.84 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.64 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.99 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.46 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.57 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 2.16 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.56 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 1.16 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 4.06 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 3.41 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 2.14 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.21 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.66 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 1.29 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.67 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.489 HD23 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.73 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 2.41 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 2.33 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 2.14 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.59 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.9 108.595 175.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.66 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.429 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.36 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 3.37 110.711 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.429 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.84 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 1.51 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 2.57 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.8 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.98 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 2.35 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.43 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.86 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 2.25 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.69 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 23' ' ' LEU . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.95 109.668 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.71 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.491 HD12 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.87 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.98 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 2.23 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.648 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 2.31 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.411 HG23 ' H ' ' A' ' 80' ' ' LYS . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.89 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.411 ' H ' HG23 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 4.0 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 1.58 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.46 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.68 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 2.02 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.88 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 4.3 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.64 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.54 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.86 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.52 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 4.16 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.78 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.59 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.97 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.59 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.44 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.95 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 4.42 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.503 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 1.35 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.491 ' HE ' HD12 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.84 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.648 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 2.35 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 1.2 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 2.18 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.84 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 1.01 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 1.1 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.419 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 2.13 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.557 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 3.32 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.58 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 1.18 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.58 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 2.27 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.64 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.34 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 2.52 109.593 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.87 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 1.64 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.68 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.55 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.635 ' CZ3' HD11 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.84 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.64 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.99 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.424 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.46 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.505 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.57 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.424 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 2.16 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.56 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 1.16 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.531 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 4.06 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 3.41 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 2.14 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 1.21 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.66 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 1.29 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.67 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD22 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.73 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 2.41 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.657 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 2.33 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 HD21 HD11 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 2.14 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.59 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.9 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.66 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.595 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.36 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 3.37 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.595 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.84 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' O ' HD22 ' A' ' 66' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 1.51 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 2.57 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.8 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.98 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 2.35 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.43 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.86 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 2.25 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.69 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.95 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.71 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.87 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.98 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 2.23 109.291 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.635 HD11 ' CZ3' ' A' ' 28' ' ' TRP . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 2.31 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.89 110.876 175.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 4.0 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.48 ' HB3' ' CD1' ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 1.58 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.68 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 2.02 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.88 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 4.3 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.64 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.54 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.86 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.52 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 4.16 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.78 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.59 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.97 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.59 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.44 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.95 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 4.42 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 1.35 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.84 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 2.35 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 1.2 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 2.18 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.84 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.463 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 1.01 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.1 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 2.13 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 3.32 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.58 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 1.18 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.58 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 2.27 110.956 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD22 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.64 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.425 ' C ' HD23 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.34 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 2.52 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.87 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 1.64 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.68 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.55 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.547 ' CZ2' ' HA ' ' A' ' 82' ' ' ALA . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.84 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.64 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.99 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.46 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.57 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 2.16 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.56 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 1.16 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 4.06 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 3.41 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 2.14 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 1.21 110.693 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.66 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 1.29 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.67 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.73 110.015 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 2.41 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 2.33 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 2.14 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.59 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.9 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.484 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.66 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.484 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.36 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 3.37 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.84 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 1.51 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 2.57 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.8 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.98 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.593 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 2.35 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.43 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.593 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.86 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 2.25 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.69 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.95 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.52 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.71 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.87 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.98 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 2.23 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 2.31 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.89 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 4.0 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.688 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.547 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 1.58 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.68 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 2.02 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.88 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.514 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 4.3 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.56 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.64 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.54 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.86 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.52 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 4.16 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.78 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.59 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.97 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.465 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.59 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.44 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.95 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 4.42 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.445 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 1.35 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.84 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.45 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 2.35 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 1.2 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 2.18 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.84 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 1.01 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 1.1 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.443 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 2.13 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 3.32 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.58 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 1.18 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.58 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 2.27 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.64 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.496 ' C ' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.34 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.405 ' HB2' HD22 ' A' ' 47' ' ' LEU . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 2.52 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD21 HD11 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.87 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.709 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 1.64 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.68 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.499 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.84 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.64 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.99 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.46 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.57 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 2.16 109.261 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.56 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 1.16 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 4.06 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 3.41 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 2.14 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 1.21 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.66 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 1.29 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m120 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.67 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.73 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 2.41 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.709 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 2.33 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 50' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 2.14 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.59 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 54' ' ' THR . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.9 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' O ' HD13 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.418 ' O ' HD11 ' A' ' 52' ' ' LEU . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.66 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' HB2' HD13 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.36 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 3.37 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.84 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 1.51 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 2.57 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.8 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.98 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 2.35 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.43 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.488 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.86 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 2.25 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.496 HG22 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.69 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.95 110.049 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 HD11 HD21 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.71 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.87 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.98 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.499 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 2.23 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.62 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 2.31 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.414 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.481 HG21 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.89 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.481 ' H ' HG21 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 4.0 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' HA ' HG11 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 1.58 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.68 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 2.02 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.88 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 4.3 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.428 HD13 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.64 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.54 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.86 111.186 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.52 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 4.16 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.78 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.59 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.3 m120 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.97 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.407 HD11 HD23 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.59 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.44 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.95 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 4.42 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.507 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 1.35 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.84 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.62 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 2.35 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 1.2 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.414 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 2.18 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.84 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 1.01 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 1.1 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 2.13 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 3.32 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.58 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 1.18 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.58 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 2.27 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.64 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.34 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 2.52 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.406 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.87 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 1.64 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.68 108.633 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.55 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.84 110.415 174.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.492 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.64 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.99 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.46 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.57 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 2.16 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.56 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 1.16 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.577 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 4.06 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 3.41 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 2.14 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 1.21 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.66 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 1.29 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.67 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.448 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.73 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 2.41 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 2.33 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 2.14 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.59 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.9 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.66 109.756 174.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.36 110.97 177.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 3.37 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.84 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.587 ' O ' HD21 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 1.51 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 2.57 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.8 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.98 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.587 HD21 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 2.35 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.43 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.415 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.86 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 2.25 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 HG12 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.69 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.95 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.406 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.71 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.87 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.98 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 2.23 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 2.31 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.459 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.89 108.831 171.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 4.0 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.413 ' HA ' HG11 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 1.58 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.68 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.413 HG11 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 2.02 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.88 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 4.3 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.64 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.54 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.554 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.86 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.52 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 4.16 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.78 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.59 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.97 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.59 110.556 -173.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.44 112.1 179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.95 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 4.42 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.497 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 1.35 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.84 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 2.35 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 1.2 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.459 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 2.18 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.84 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 1.01 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 1.1 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 2.13 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 3.32 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.426 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.58 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 1.18 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.58 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.426 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 2.27 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.64 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.34 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD11 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 2.52 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.87 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.747 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 1.64 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.68 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.55 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.84 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.423 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.64 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.441 ' HA ' HD13 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.99 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.475 ' HE3' ' N ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.46 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.57 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 2.16 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.56 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 1.16 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 4.06 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 3.41 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 2.14 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 1.21 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.66 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 1.29 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.67 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.73 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 2.41 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.747 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 2.33 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 2.14 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.59 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.462 HD12 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.9 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.462 ' O ' HD12 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.66 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.36 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 3.37 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.84 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 1.51 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 2.57 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.8 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.98 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 2.35 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.43 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.86 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 2.25 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG11 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.69 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.442 ' O ' HD11 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.95 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.71 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.87 109.442 175.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.526 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.98 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 2.23 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 2.31 111.016 -168.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.89 109.276 173.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 4.0 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 1.58 111.695 -175.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.597 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.68 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.503 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 2.02 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.447 ' HZ3' ' HB3' ' A' ' 86' ' ' LYS . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.88 110.85 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 4.3 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.64 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.54 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.86 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.52 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 4.16 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.78 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.59 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.97 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.59 110.15 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.44 112.392 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.95 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 4.42 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.526 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 1.35 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.84 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 2.35 110.402 177.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 1.2 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 2.18 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.84 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 1.01 113.383 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 1.1 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 2.13 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 3.32 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.58 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 1.18 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.58 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 2.27 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.64 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.34 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 2.52 111.499 -177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.87 108.859 172.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 1.64 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.68 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.55 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.406 ' HB3' HD13 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.84 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.64 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.99 109.172 167.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.496 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.46 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.496 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.57 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.525 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 2.16 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.56 111.119 -174.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 1.16 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 4.06 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.497 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 3.41 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 2.14 109.96 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.21 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.66 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 1.29 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.67 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.73 109.886 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 2.41 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 2.33 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 2.14 110.932 -176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.59 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.9 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.66 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.447 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.36 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 3.37 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.447 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.84 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 1.51 111.167 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.474 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 2.57 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.8 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.98 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 2.35 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.43 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.86 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 2.25 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 22' ' ' GLY . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.69 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.95 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.71 111.421 -173.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.87 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.98 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 2.23 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 2.31 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 82' ' ' ALA . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.89 109.996 172.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 4.0 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.419 ' HB3' ' OG1' ' A' ' 79' ' ' THR . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.58 111.306 176.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.68 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 2.02 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.88 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 4.3 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.438 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.64 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.589 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.54 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.86 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.52 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.412 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 4.16 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.78 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.59 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.97 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.59 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.44 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.95 110.877 -176.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 4.42 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 1.35 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.84 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 2.35 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 1.2 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.451 ' HA ' HD12 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 2.18 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.525 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.84 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 1.01 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.504 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 1.1 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 2.13 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 3.32 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.58 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 1.18 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.58 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 2.27 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.64 112.181 -174.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.34 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 2.52 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.87 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 1.64 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.68 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.55 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.84 109.494 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.417 ' O ' HD13 ' A' ' 35' ' ' ILE . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.64 109.496 173.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.99 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.489 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.46 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.57 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.489 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 2.16 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.417 HD13 ' O ' ' A' ' 29' ' ' SER . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.56 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.505 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.478 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 1.16 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 4.06 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 3.41 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 2.14 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 1.21 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.66 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 1.29 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.67 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.73 110.64 -177.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 2.41 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 2.33 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 2.14 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 HG22 HG22 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.59 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.9 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.66 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.36 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 3.37 110.482 -178.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.532 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.84 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 1.51 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 2.57 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.8 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.98 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 2.35 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.43 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.86 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 2.25 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.69 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.95 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.71 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.87 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.98 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 2.23 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.439 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 2.31 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.89 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HB2' ' HZ1' ' A' ' 80' ' ' LYS . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 4.0 111.187 -177.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 1.58 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.68 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 2.02 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.88 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 4.3 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.64 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.54 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.86 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.52 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 4.16 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.78 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.59 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.97 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.59 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.44 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG23 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.95 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 4.42 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.517 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 1.35 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.84 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 2.35 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 1.2 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.469 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 2.18 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.84 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 1.01 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.461 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 1.1 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 2.13 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.461 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 3.32 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.58 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 1.18 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.58 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 2.27 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.64 111.153 179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.34 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 2.52 110.674 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.87 108.964 174.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.476 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 1.64 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.562 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.68 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.55 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.84 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.64 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.99 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.496 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.46 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.57 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.496 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 2.16 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.56 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 1.16 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 4.06 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 3.41 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.659 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 2.14 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 1.21 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.66 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 1.29 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.67 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.73 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 2.41 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 2.33 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 2.14 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.59 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 HD11 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.9 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.66 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.472 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.36 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 3.37 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.84 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 1.51 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 2.57 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.8 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.98 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.666 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 2.35 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.43 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.666 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.86 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 2.25 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.69 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.535 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.95 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.71 111.088 -175.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.87 108.914 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.98 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 2.23 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 2.31 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.89 109.47 176.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 4.0 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 1.58 111.843 -174.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.606 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.68 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.504 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 2.02 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.489 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.88 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 4.3 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.64 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.54 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.86 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.52 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 4.16 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.78 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.4 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.59 110.159 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.97 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.59 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.44 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.95 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 4.42 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.406 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 1.35 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.458 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.84 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 2.35 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.458 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 1.2 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 2.18 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.84 109.418 -176.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 1.01 112.005 177.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 1.1 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 2.13 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 3.32 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.58 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 1.18 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.659 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.58 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 2.27 111.109 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.64 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.34 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 2.52 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.87 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.797 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 1.64 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.68 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.55 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.84 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.64 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.99 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.472 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.46 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.57 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 2.16 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.56 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 1.16 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 4.06 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 3.41 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 2.14 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 1.21 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.66 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 1.29 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.67 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.73 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 2.41 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.797 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 2.33 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 2.14 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' O ' HG21 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.59 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 HD12 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.9 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.428 ' O ' HD12 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.66 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.633 ' OD2' HD13 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.36 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 3.37 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.633 HD13 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.84 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 1.51 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 2.57 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.8 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.98 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 2.35 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.43 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.86 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 2.25 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.69 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.95 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.71 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.87 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.98 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 75' ' ' LEU . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 2.23 109.126 177.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 2.31 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.89 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 4.0 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 1.58 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.578 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.68 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 2.02 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.88 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 4.3 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.578 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.64 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.486 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.54 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.86 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.52 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 4.16 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.78 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.59 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.97 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.59 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.44 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.95 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 4.42 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 1.35 111.013 -176.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.84 110.179 179.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 2.35 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 1.2 111.233 -177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 2.18 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.84 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.416 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 1.01 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 1.1 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 2.13 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 3.32 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.58 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 1.18 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.58 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 2.27 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.403 ' HB3' HD13 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.64 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.16 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 1.91 110.078 -177.84 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.24 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 0.95 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.17 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.0 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.26 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.29 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.33 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.486 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.05 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.16 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 1.59 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 0.5 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 3.48 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 2.95 111.459 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 1.55 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.59 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.2 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 0.82 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.13 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD11 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.18 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 1.61 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 1.76 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 1.48 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.07 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.43 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.3 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.03 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 2.99 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 63' ' ' LEU . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.33 111.82 -172.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 0.93 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 1.89 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.41 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.65 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 1.72 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.28 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.56 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 1.89 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.08 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.53 108.923 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.0 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.22 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.3 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 1.67 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 1.76 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.2 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 3.57 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 0.97 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.21 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 1.35 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.3 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 3.93 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.17 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.12 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.41 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.01 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 3.67 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.34 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.17 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.33 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.08 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.25 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 3.87 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.76 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.34 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 1.91 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.55 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 1.64 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.36 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 0.69 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 0.41 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 1.51 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 2.96 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.29 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 0.55 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.13 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 1.57 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.514 ' OG ' HD11 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.16 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' HD22 ' A' ' 47' ' ' LEU . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 1.91 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 50' ' ' LEU . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.24 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 0.95 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 50' ' ' LEU . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.17 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.0 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.26 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.29 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.33 109.602 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.05 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.16 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 1.59 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 0.5 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 3.48 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 2.95 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.59 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.2 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.82 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.13 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 119' ' ' SER . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.18 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 1.76 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 24' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 1.48 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.07 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.43 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.3 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.03 111.993 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 2.99 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.33 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.93 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 59' ' ' ILE . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 1.89 111.988 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.41 109.519 172.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.65 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 1.72 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.28 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.56 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 1.89 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.08 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' HD22 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.53 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.0 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.22 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.3 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 1.67 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 1.76 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.2 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 3.57 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HA ' HG23 ' A' ' 85' ' ' VAL . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 0.97 112.248 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.21 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 82' ' ' ALA . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 1.35 109.448 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.3 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 3.93 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.17 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.12 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.41 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.01 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 3.67 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.34 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.17 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.33 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.08 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.25 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.35 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 3.87 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' ' 74' ' ' VAL . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.76 111.956 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.34 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 1.91 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.55 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 1.64 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.36 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 0.69 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 0.41 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 1.51 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 2.96 110.629 177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.29 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 47' ' ' LEU . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.55 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.13 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 1.57 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' LEU . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.2 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.16 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 1.91 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.24 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 0.95 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.17 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.0 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.26 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.29 109.212 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.33 109.382 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.05 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.16 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.01 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 3.48 111.106 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 2.95 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.55 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.59 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.2 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 0.82 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.13 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.18 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 1.61 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 1.76 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 62' ' ' ILE . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 1.48 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.07 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.43 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.3 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.03 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 2.99 111.806 -172.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.33 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 50' ' ' LEU . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 0.93 111.271 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 72' ' ' ILE . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 1.89 111.076 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.65 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 1.72 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.28 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.56 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 1.89 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.08 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.53 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 63' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.22 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 1.67 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.2 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 3.57 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 0.97 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.21 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 1.35 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.3 109.509 177.538 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 3.93 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.17 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.12 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.41 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.01 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 3.67 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.34 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.17 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.33 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.08 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.25 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.35 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 3.87 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 86' ' ' LYS . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 0.76 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.34 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 1.91 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 0.55 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 1.64 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.36 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 0.69 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.41 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 37' ' ' GLU . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 1.51 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 2.96 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.29 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.13 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 1.57 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.478 ' CB ' HD21 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.2 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.16 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 1.91 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 63' ' ' LEU . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.24 108.985 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 0.95 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.17 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.0 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.26 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.29 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.33 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.05 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.16 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 1.59 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.5 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 3.48 110.608 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 2.95 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.55 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.59 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.2 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.82 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.13 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.18 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 1.61 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 1.76 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 1.48 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.07 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.43 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.528 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.03 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 2.99 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.528 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.33 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 50' ' ' LEU . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 0.93 111.265 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 24' ' ' LEU . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 1.89 111.577 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.41 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.65 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 70' ' ' VAL . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 1.72 111.359 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.28 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.56 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 1.89 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.08 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.53 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.22 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.3 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 1.67 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.453 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.2 109.322 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 3.57 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.801 -175.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.21 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 1.35 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.3 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 3.93 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.17 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.12 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.41 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.01 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 3.67 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.34 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.17 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.33 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.08 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.25 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.35 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 3.87 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 0.76 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.34 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 1.91 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 0.55 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.483 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 1.64 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.36 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 0.69 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 0.41 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 1.51 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 2.96 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.404 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.29 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 0.55 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.13 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 1.57 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.2 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.16 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 1.91 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.24 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 0.95 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.17 108.31 171.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.26 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.29 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.33 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.05 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.16 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' SER . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.01 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.5 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 3.48 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 2.95 110.901 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.2 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 0.82 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.13 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 119' ' ' SER . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.18 110.065 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 1.61 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 39' ' ' ARG . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 1.76 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 62' ' ' ILE . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.48 110.406 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.43 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.3 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.03 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 2.99 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.33 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' HD22 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.93 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 1.89 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.41 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.65 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 1.72 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.28 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.56 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 1.89 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.08 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.53 109.123 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.0 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.3 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 1.67 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 1.76 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.529 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.2 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 3.57 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.21 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 1.35 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.3 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 3.93 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.17 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.12 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 89' ' ' ILE . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.41 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.01 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 3.67 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.34 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.17 109.073 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.33 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.08 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.25 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 3.87 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 0.76 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.34 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.55 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 1.64 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.36 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 0.69 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.41 110.609 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 1.51 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 2.96 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.29 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.55 110.855 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.13 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 1.57 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.2 111.633 -176.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.16 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 1.91 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 50' ' ' LEU . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.24 109.405 175.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 0.95 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.17 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.0 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.26 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.29 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.33 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.05 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.16 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 1.59 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.01 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.5 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 2.95 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 0.59 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.2 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 0.82 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.13 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.18 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 1.61 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 1.76 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 24' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 1.48 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.07 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.43 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.3 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.03 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 2.99 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.33 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 HD21 ' A' ' 50' ' ' LEU . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.93 111.235 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 1.89 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.41 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.65 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.52 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 1.72 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.28 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.56 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 1.89 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.08 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.53 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.22 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.3 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 75' ' ' LEU . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 1.67 110.181 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 1.76 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.2 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 3.57 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 0.97 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.21 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 1.35 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.3 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 3.93 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.17 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.12 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.41 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 3.67 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.34 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.17 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.33 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.08 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.25 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.35 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 3.87 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 0.76 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.34 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 1.91 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 0.55 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 1.64 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.36 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 0.69 112.708 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 0.41 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 1.51 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 2.96 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.29 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 0.55 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.13 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 1.57 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.2 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.16 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 47' ' ' LEU . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 1.91 109.632 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.24 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 0.95 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.17 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.0 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.26 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.29 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.33 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.05 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.16 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 1.59 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 0.5 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 3.48 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 2.95 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 1.55 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 0.59 110.432 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.2 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 0.82 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.13 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 HD23 ' A' ' 23' ' ' LEU . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.18 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 1.61 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 1.76 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 1.48 110.793 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.07 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.43 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD23 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.3 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.03 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 2.99 111.684 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.33 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.473 HD12 HD21 ' A' ' 50' ' ' LEU . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 0.93 111.25 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 1.89 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.41 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 1.72 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.28 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.56 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 1.89 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.08 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.53 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.22 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.3 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 1.67 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 1.76 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.5 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.2 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 3.57 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 0.97 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.21 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 1.35 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.3 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 3.93 111.386 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.17 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.12 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.41 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.01 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 3.67 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.34 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.17 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.33 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.08 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.25 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.35 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 3.87 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.461 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.76 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.34 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 1.91 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 0.55 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.5 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 1.64 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.36 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 0.69 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.41 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 2.96 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 0.55 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.13 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 23' ' ' LEU . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 1.57 110.385 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.406 ' OG ' HD21 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.2 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.16 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 1.91 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.24 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 0.95 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.17 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.0 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.26 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.29 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.33 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.05 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.16 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 1.59 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.01 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.5 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 3.48 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 2.95 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.402 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 1.55 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 0.59 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.2 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 0.82 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.13 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.18 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 1.61 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.65 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 1.76 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 1.48 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HG1' HG23 ' A' ' 27' ' ' ILE . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.07 109.718 174.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.43 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.3 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.03 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 2.99 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.33 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.93 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 1.89 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.41 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 1.72 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.28 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.56 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 1.89 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.08 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.53 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.0 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.22 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG13 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.3 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 1.67 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 1.76 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.2 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 3.57 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 0.97 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.21 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.3 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 3.93 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.17 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.12 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.01 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 3.67 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.34 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.17 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.33 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.08 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.25 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 3.87 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.702 ' HA ' HG13 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.76 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HG3' HG13 ' A' ' 105' ' ' VAL . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.34 109.988 174.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.91 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HG3' ' A' ' 103' ' ' ARG . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 0.55 111.384 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 1.64 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.36 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 0.69 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 0.41 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.51 ' HD2' ' HG3' ' A' ' 37' ' ' GLU . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 2.96 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.29 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 0.55 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.13 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.503 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 1.57 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.429 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.2 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.16 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 118' ' ' PHE . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 1.91 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.24 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 0.95 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.17 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.0 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HE1' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.26 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.29 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.33 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.05 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.16 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 1.59 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.01 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 0.5 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 3.48 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 2.95 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 1.55 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 0.59 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.2 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 0.82 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.13 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.18 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 1.61 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 1.76 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 1.48 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.07 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.43 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.3 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 50' ' ' LEU . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.03 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 2.99 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 26' ' ' LEU . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.33 110.875 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 50' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.93 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 1.89 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.41 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.65 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 1.72 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.28 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.56 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 1.89 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.08 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.53 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.0 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.22 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.3 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 1.67 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 1.76 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.2 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 3.57 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HA ' ' HE1' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 0.97 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.21 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 1.35 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.3 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 3.93 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.17 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.12 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.41 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 3.67 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.34 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.17 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.33 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.08 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.25 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.35 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 3.87 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.556 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 0.76 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.34 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 1.91 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 0.55 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 106' ' ' THR . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 1.64 110.274 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.36 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 0.69 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.41 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 1.51 111.339 -176.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 2.96 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.29 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 0.55 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.13 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 23' ' ' LEU . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.483 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.2 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.16 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 1.91 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.24 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 0.95 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.17 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.0 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.26 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.29 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.33 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.05 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.16 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 1.59 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.01 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 0.5 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 3.48 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 2.95 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 1.55 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 0.59 110.529 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.2 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 0.82 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.13 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 119' ' ' SER . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 1.61 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 1.76 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 58' ' ' LYS . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 1.48 110.59 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.07 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 26' ' ' LEU . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.43 110.975 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.3 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.03 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 2.99 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.93 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 1.89 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.41 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.65 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.627 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 1.72 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.28 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.56 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 1.89 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.08 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.53 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.0 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.22 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.3 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 1.67 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 1.76 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.2 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 3.57 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 0.97 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 81' ' ' ASP . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.21 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 1.35 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.3 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 3.93 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.17 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.12 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.41 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.01 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 3.67 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.34 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.17 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.33 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.08 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.25 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.35 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 3.87 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.474 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 0.76 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.34 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 1.91 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 0.55 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 1.64 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.36 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 0.69 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.41 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 1.51 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 2.96 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.29 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.55 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.13 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.416 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.2 109.661 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.16 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 1.91 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 59' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.24 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 0.95 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.17 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 75' ' ' LEU . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.0 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB3' HD12 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.26 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.33 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.559 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.05 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.16 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 1.59 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.01 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.5 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 3.48 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 2.95 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 1.55 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 0.59 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.2 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.82 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.13 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.18 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 1.61 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 1.76 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 1.48 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.07 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.43 108.595 175.561 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.3 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 52' ' ' LEU . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.03 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 55' ' ' ASP . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 2.99 110.711 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.33 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 1.89 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.41 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.65 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 1.72 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.28 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.56 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 1.89 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.08 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.53 109.668 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.0 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD11 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.3 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 1.67 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 1.76 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.437 ' H ' ' HB2' ' A' ' 82' ' ' ALA . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.2 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 3.57 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.97 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.21 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 1.35 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.3 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 3.93 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.17 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.12 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.41 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.01 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 3.67 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.34 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.17 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.33 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.08 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.25 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.35 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 3.87 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.76 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HE ' HD11 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.34 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 0.55 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 1.64 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.36 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 0.69 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.41 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 1.51 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 2.96 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.29 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.55 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.13 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 1.57 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.2 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.16 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 1.91 109.593 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.24 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.95 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG12 ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.17 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.0 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.26 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.29 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.33 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.05 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.16 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 1.59 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.01 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 0.5 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 3.48 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 2.95 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 1.55 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.59 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 0.82 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.13 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.18 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 1.61 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 1.76 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 1.48 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.07 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.43 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.3 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.03 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 2.99 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.33 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.507 HD12 HD21 ' A' ' 50' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 0.93 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 1.89 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.41 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.65 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 1.72 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.28 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.56 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 1.89 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.08 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.53 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.22 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.3 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 75' ' ' LEU . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 1.67 109.291 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.671 HD11 ' HB1' ' A' ' 82' ' ' ALA . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 1.76 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.515 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.2 110.876 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 3.57 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB1' HD11 ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 0.97 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.21 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 1.35 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.3 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 3.93 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.17 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.12 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.41 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 3.67 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.34 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.17 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.33 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.08 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.25 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.35 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 3.87 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.697 ' HA ' HG22 ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.76 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.34 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 1.91 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.55 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 1.64 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.36 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 0.69 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 1.51 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 2.96 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.29 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.55 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.13 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 1.57 110.956 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD21 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.2 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' PHE . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.16 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 1.91 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.24 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 0.95 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.0 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.591 ' HE1' HD22 ' A' ' 76' ' ' LEU . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.26 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.29 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.33 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.05 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.16 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 1.59 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.01 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.5 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 3.48 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 2.95 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 1.55 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.59 110.693 178.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.2 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 0.82 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.0 t30 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.13 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.18 110.015 175.729 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 1.61 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 1.76 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 1.48 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.07 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.43 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.495 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.3 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.03 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 2.99 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.33 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 0.93 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 1.89 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.41 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.65 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.601 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 1.72 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.28 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.56 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 1.89 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.08 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.53 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.22 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.3 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 1.67 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD22 ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 1.76 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.2 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 3.57 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.692 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 0.97 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.21 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 1.35 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.3 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 3.93 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.17 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.12 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.41 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.01 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 3.67 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.34 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.17 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.33 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.08 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.25 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.35 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 3.87 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 0.76 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.34 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 0.55 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 1.64 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.36 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 0.69 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.41 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 1.51 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 2.96 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 0.55 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.13 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 1.57 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.2 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.16 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 71' ' ' LYS . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 1.91 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.24 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.95 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.17 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.26 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.29 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.33 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.05 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.16 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 1.59 109.261 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.01 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 0.5 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.48 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 2.95 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 1.55 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.2 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.82 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.13 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.18 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 1.61 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.712 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 1.76 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 52' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 1.48 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.07 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 50' ' ' LEU . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.43 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' HD11 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 92' ' ' LYS . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.3 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.738 ' HB2' HD12 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.03 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 2.99 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.33 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.93 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 98' ' ' LEU . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 1.89 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.41 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.65 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 1.72 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.28 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.56 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 1.89 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.08 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 23' ' ' LEU . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.53 110.049 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.0 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.22 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.3 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 1.67 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 1.76 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.42 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.2 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' H ' HG22 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 3.57 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.97 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.21 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 1.35 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.3 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 3.93 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.17 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.12 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 54' ' ' THR . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.41 111.186 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.01 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 3.67 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.34 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.17 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.33 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.08 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.25 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.35 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 3.87 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' HG22 ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.76 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.34 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 1.91 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 0.55 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.42 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 1.64 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.36 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.69 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.41 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 1.51 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 2.96 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.29 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 0.55 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.13 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 1.57 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.2 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.16 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 1.91 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.24 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 0.95 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 HG22 ' A' ' 74' ' ' VAL . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.17 108.633 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.0 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 82' ' ' ALA . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.26 110.415 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.29 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.33 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.05 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.16 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 1.59 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.01 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.5 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 3.48 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 2.95 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 1.55 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.59 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.2 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 0.82 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.13 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.18 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 1.61 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 1.76 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD21 HD12 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 1.48 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.07 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.43 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 57' ' ' LYS . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.3 109.756 174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.03 110.97 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 2.99 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.33 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 0.93 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 1.89 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.41 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.65 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 1.72 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.28 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.56 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 1.89 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.08 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.53 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.22 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.3 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 1.67 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 1.76 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.2 108.831 171.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 3.57 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 0.97 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.21 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 1.35 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 3.93 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.17 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.12 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.565 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.01 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 3.67 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.34 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ALA . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.17 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.33 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.08 110.556 -173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.25 112.1 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.35 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 3.87 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.511 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.76 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.34 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 1.91 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 0.55 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 106' ' ' THR . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 1.64 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.36 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 0.69 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.41 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 1.51 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 2.96 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.427 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.29 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 0.55 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.13 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 1.57 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.2 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.16 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 1.91 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.24 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 0.95 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.17 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.0 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.26 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.29 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.33 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.565 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.05 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.16 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 1.59 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' HB3' ' A' ' 108' ' ' PRO . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 0.5 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 3.48 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 2.95 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 1.55 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 0.59 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.2 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 0.82 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.13 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 1.61 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 1.76 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.48 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.07 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.43 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.3 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.03 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 2.99 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 0.93 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 1.89 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.41 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.65 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 1.72 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.28 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.56 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 1.89 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.08 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.53 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.0 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.22 109.442 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.3 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 1.67 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 1.76 111.016 -168.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.2 109.276 173.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 3.57 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 0.97 111.695 -175.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.21 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 1.35 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.3 110.85 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 3.93 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.17 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.12 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.41 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.01 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 3.67 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.34 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.17 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.33 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.08 110.15 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.25 112.392 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 3.87 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.76 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.34 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 1.91 110.402 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.55 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 1.64 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.36 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 0.69 113.383 176.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.41 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 1.51 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 2.96 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.29 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 0.55 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.13 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 1.57 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.2 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.16 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 1.91 111.499 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 72' ' ' ILE . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.24 108.859 172.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 0.95 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.17 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.0 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.26 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.29 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' HD11 ' A' ' 35' ' ' ILE . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.33 109.172 167.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.493 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.05 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.16 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.586 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 1.59 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 30' ' ' ASN . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.01 111.119 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.5 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 2.95 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.427 ' HE3' ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 1.55 109.96 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.59 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.2 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 0.82 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.13 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.18 109.886 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 1.61 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 1.76 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 62' ' ' ILE . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 1.48 110.932 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.07 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.43 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.3 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.03 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 2.99 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.33 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 50' ' ' LEU . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 0.93 111.167 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 1.89 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.41 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.65 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.72 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.28 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.56 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 1.89 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.495 HG22 HD23 ' A' ' 66' ' ' LEU . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.08 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.53 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 24' ' ' LEU . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.0 111.421 -173.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.22 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.3 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 1.67 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 1.76 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.2 109.996 172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 3.57 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.97 111.306 176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.21 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 1.35 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.3 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 3.93 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.17 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.12 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.41 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 3.67 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.34 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.17 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.33 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.08 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.25 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 72' ' ' ILE . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.35 110.877 -176.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 3.87 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 0.76 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.34 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 1.91 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 0.55 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' HD11 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 1.64 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.586 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.36 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 0.69 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 0.41 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 1.51 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 2.96 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.29 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 0.55 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.13 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 1.57 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.2 112.181 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.16 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 1.91 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.24 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 0.95 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.17 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 51' ' ' THR . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.0 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 53' ' ' GLU . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.26 109.494 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.29 109.496 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.33 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.05 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.16 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 1.59 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.01 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 0.5 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 3.48 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 2.95 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 1.55 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 0.59 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.2 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 0.82 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.13 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 119' ' ' SER . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.18 110.64 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 1.61 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 1.76 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 1.48 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.07 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.43 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.3 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.03 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 2.99 110.482 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.93 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 1.89 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.41 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.65 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 1.72 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.28 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.56 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 1.89 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.08 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.53 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.22 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.3 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 1.67 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 1.76 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.2 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 3.57 111.187 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.97 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.21 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 1.35 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.3 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 3.93 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.17 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.12 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.41 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.01 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 3.67 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.34 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.17 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.33 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.08 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.25 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.516 HG22 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.35 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 3.87 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.534 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 0.76 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.34 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 0.55 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.47 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 1.64 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.36 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 0.69 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 0.41 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 1.51 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 2.96 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.29 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 0.55 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.13 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 1.57 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 47' ' ' LEU . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.2 111.153 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.16 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 73' ' ' LEU . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 1.91 110.674 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 72' ' ' ILE . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.24 108.964 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 0.95 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.17 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.0 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.26 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.29 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.33 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.05 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.16 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 1.59 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.01 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.5 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 3.48 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 2.95 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.678 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 1.55 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 0.59 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 0.82 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.13 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.18 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 1.61 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 1.76 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 1.48 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.07 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.43 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.3 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.03 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 2.99 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.33 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 0.93 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 1.89 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.41 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.65 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.681 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 1.72 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.28 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.56 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 1.89 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.08 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.53 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HD23 ' A' ' 24' ' ' LEU . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.0 111.088 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 23' ' ' LEU . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.22 108.914 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.3 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 1.67 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 1.76 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.2 109.47 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 3.57 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 0.97 111.843 -174.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.21 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 1.35 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.3 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 3.93 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.17 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.12 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' HD13 ' A' ' 89' ' ' ILE . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.41 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.01 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 3.67 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.34 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.17 110.159 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.33 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.08 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.25 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.35 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 3.87 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 0.76 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.34 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 1.91 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 0.55 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 1.64 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.36 109.418 -176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 107' ' ' SER . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 0.69 112.005 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 0.41 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 1.51 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.29 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.55 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.678 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.13 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PHE . . . . . 0.411 ' HB2' HD22 ' A' ' 23' ' ' LEU . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 1.57 111.109 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.2 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.16 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 1.91 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.24 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.8 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 0.95 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.17 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.0 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.26 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.29 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.33 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.05 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.16 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 1.59 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.01 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.5 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 3.48 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 2.95 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 1.55 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.2 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 0.82 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.7 t30 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.13 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.18 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 1.61 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 1.76 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 1.48 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.07 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.43 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.3 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.634 ' OD2' HD12 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.03 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 2.99 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.634 HD12 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.33 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.93 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 1.89 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.41 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.65 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 1.72 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.28 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.56 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 1.89 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.08 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.53 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.22 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.3 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 1.67 109.126 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 1.76 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.2 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 3.57 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 0.97 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.21 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 1.35 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.3 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 3.93 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.17 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.12 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.41 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.01 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 3.67 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.34 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.17 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.33 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.08 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.25 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.35 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 3.87 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 74' ' ' VAL . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 0.76 111.013 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 105' ' ' VAL . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.34 110.179 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 1.91 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 103' ' ' ARG . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 0.55 111.233 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 1.64 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.36 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 0.69 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 0.41 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 1.51 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 2.96 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.29 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 0.55 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.13 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 1.57 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.2 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.16 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 1.91 110.078 -177.84 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.24 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 0.95 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.17 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.0 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.26 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.29 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.33 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.486 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.05 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.16 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 1.59 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 0.5 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 3.48 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 2.95 111.459 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 1.55 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.59 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.2 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 0.82 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.13 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD11 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.18 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 1.61 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 1.76 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 1.48 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.07 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.43 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.3 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.03 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 2.99 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 63' ' ' LEU . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.33 111.82 -172.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 0.93 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 1.89 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.41 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.65 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 1.72 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.28 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.56 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 1.89 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.08 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.53 108.923 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.0 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.22 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.3 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 1.67 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 1.76 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.2 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 3.57 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 0.97 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.21 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 1.35 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.3 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 3.93 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.17 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.12 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.41 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.01 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 3.67 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.34 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.17 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.33 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.08 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.25 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 3.87 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.76 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.34 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 1.91 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.55 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 1.64 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.36 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 0.69 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 0.41 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 1.51 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 2.96 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.29 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 0.55 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.13 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 1.57 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.514 ' OG ' HD11 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.16 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' HD22 ' A' ' 47' ' ' LEU . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 1.91 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 50' ' ' LEU . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.24 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 0.95 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 50' ' ' LEU . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.17 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.0 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.26 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.29 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.33 109.602 174.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.05 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.16 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 1.59 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 0.5 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 3.48 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 2.95 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.59 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.2 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.82 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.13 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 119' ' ' SER . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.18 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 1.76 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 24' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 1.48 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.07 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.43 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.3 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.03 111.993 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 2.99 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.33 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.93 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 59' ' ' ILE . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 1.89 111.988 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.41 109.519 172.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.65 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 1.72 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.28 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.56 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 1.89 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.08 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' HD22 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.53 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.0 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.22 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.3 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 1.67 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 1.76 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.2 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 3.57 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HA ' HG23 ' A' ' 85' ' ' VAL . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 0.97 112.248 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.21 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 82' ' ' ALA . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 1.35 109.448 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.3 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 3.93 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.17 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.12 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.41 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.01 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 3.67 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.34 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.17 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.33 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.08 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.25 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.35 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 3.87 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' ' 74' ' ' VAL . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.76 111.956 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.34 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 1.91 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.55 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 1.64 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.36 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 0.69 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 0.41 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 1.51 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 2.96 110.629 177.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.29 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 47' ' ' LEU . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.55 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.13 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 1.57 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' LEU . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.2 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.16 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 1.91 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.24 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 0.95 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.17 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.0 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.26 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.29 109.212 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.33 109.382 167.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.05 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.16 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.01 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 3.48 111.106 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 2.95 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.55 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.59 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.2 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 0.82 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.13 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.18 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 1.61 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 1.76 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 62' ' ' ILE . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 1.48 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.07 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.43 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.3 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.03 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 2.99 111.806 -172.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.33 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 50' ' ' LEU . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 0.93 111.271 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 72' ' ' ILE . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 1.89 111.076 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.65 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 1.72 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.28 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.56 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 1.89 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.08 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.53 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 63' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.22 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 1.67 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.2 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 3.57 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 0.97 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.21 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 1.35 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.3 109.509 177.538 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 3.93 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.17 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.12 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.41 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.01 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 3.67 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.34 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.17 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.33 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.08 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.25 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.35 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 3.87 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 86' ' ' LYS . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 0.76 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.34 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 1.91 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 0.55 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 1.64 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.36 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 0.69 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.41 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 37' ' ' GLU . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 1.51 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 2.96 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.29 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.13 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 1.57 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.478 ' CB ' HD21 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.2 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.16 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 1.91 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 63' ' ' LEU . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.24 108.985 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 0.95 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.17 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.0 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.26 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.29 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.33 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.05 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.16 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 1.59 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.5 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 3.48 110.608 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 2.95 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.55 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.59 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.2 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.82 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.13 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.18 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 1.61 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 1.76 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 1.48 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.07 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.43 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.528 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.03 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 2.99 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.528 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.33 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 50' ' ' LEU . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 0.93 111.265 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 24' ' ' LEU . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 1.89 111.577 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.41 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.65 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 70' ' ' VAL . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 1.72 111.359 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.28 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.56 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 1.89 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.08 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.53 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.22 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.3 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 1.67 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.453 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.2 109.322 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 3.57 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.801 -175.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.21 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 1.35 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.3 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 3.93 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.17 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.12 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.41 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.01 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 3.67 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.34 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.17 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.33 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.08 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.25 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.35 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 3.87 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 0.76 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.34 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 1.91 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 0.55 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.483 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 1.64 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.36 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 0.69 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 0.41 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 1.51 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 2.96 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.404 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.29 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 0.55 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.13 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 1.57 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.2 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.16 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 1.91 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.24 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 0.95 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.17 108.31 171.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.26 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.29 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.33 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.05 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.16 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' SER . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.01 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.5 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 3.48 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 2.95 110.901 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.2 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 0.82 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.13 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 119' ' ' SER . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.18 110.065 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 1.61 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 39' ' ' ARG . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 1.76 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 62' ' ' ILE . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.48 110.406 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.43 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.3 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.03 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 2.99 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.33 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' HD22 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.93 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 1.89 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.41 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.65 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 1.72 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.28 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.56 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 1.89 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.08 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.53 109.123 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.0 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.3 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 1.67 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 1.76 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.529 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.2 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 3.57 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.21 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 1.35 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.3 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 3.93 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.17 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.12 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 89' ' ' ILE . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.41 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.01 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 3.67 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.34 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.17 109.073 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.33 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.08 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.25 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 3.87 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 0.76 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.34 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.55 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 1.64 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.36 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 0.69 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.41 110.609 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 1.51 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 2.96 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.29 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.55 110.855 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.13 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 1.57 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.2 111.633 -176.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.16 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 1.91 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 50' ' ' LEU . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.24 109.405 175.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 0.95 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.17 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.0 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.26 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.29 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.33 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.05 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.16 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 1.59 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.01 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.5 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 2.95 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 0.59 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.2 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 0.82 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.13 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.18 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 1.61 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 1.76 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 24' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 1.48 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.07 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.43 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.3 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.03 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 2.99 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.33 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 HD21 ' A' ' 50' ' ' LEU . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.93 111.235 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 1.89 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.41 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.65 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.52 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 1.72 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.28 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.56 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 1.89 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.08 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.53 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.22 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.3 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 75' ' ' LEU . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 1.67 110.181 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 1.76 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.2 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 3.57 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 0.97 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.21 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 1.35 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.3 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 3.93 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.17 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.12 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.41 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 3.67 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.34 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.17 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.33 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.08 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.25 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.35 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 3.87 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 0.76 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.34 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 1.91 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 0.55 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 1.64 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.36 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 0.69 112.708 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 0.41 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 1.51 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 2.96 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.29 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 0.55 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.13 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 1.57 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.2 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.16 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 47' ' ' LEU . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 1.91 109.632 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.24 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 0.95 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.17 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.0 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.26 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.29 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.33 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.05 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.16 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 1.59 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 0.5 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 3.48 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 2.95 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 1.55 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 0.59 110.432 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.2 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 0.82 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.13 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 HD23 ' A' ' 23' ' ' LEU . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.18 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 1.61 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 1.76 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 1.48 110.793 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.07 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.43 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD23 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.3 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.03 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 2.99 111.684 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.33 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.473 HD12 HD21 ' A' ' 50' ' ' LEU . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 0.93 111.25 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 1.89 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.41 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 1.72 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.28 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.56 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 1.89 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.08 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.53 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.22 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.3 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 1.67 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 1.76 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.5 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.2 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 3.57 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 0.97 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.21 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 1.35 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.3 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 3.93 111.386 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.17 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.12 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.41 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.01 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 3.67 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.34 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.17 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.33 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.08 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.25 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.35 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 3.87 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.461 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.76 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.34 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 1.91 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 0.55 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.5 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 1.64 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.36 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 0.69 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.41 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 2.96 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 0.55 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.13 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 23' ' ' LEU . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 1.57 110.385 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.406 ' OG ' HD21 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.2 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.16 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 1.91 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.24 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 0.95 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.17 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.0 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.26 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.29 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.33 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.05 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.16 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 1.59 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.01 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.5 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 3.48 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 2.95 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.402 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 1.55 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 0.59 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.2 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 0.82 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.13 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.18 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 1.61 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.65 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 1.76 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 1.48 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HG1' HG23 ' A' ' 27' ' ' ILE . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.07 109.718 174.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.43 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.3 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.03 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 2.99 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.33 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.93 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 1.89 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.41 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 1.72 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.28 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.56 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 1.89 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.08 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.53 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.0 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.22 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG13 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.3 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 1.67 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 1.76 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.2 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 3.57 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 0.97 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.21 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.3 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 3.93 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.17 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.12 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.01 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 3.67 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.34 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.17 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.33 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.08 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.25 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 3.87 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.702 ' HA ' HG13 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.76 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HG3' HG13 ' A' ' 105' ' ' VAL . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.34 109.988 174.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.91 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HG3' ' A' ' 103' ' ' ARG . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 0.55 111.384 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 1.64 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.36 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 0.69 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 0.41 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.51 ' HD2' ' HG3' ' A' ' 37' ' ' GLU . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 2.96 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.29 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 0.55 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.13 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.503 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 1.57 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.429 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.2 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.16 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 118' ' ' PHE . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 1.91 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.24 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 0.95 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.17 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.0 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HE1' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.26 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.29 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.33 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.05 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.16 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 1.59 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.01 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 0.5 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 3.48 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 2.95 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 1.55 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 0.59 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.2 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 0.82 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.13 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.18 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 1.61 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 1.76 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 1.48 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.07 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.43 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.3 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 50' ' ' LEU . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.03 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 2.99 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 26' ' ' LEU . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.33 110.875 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 50' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.93 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 1.89 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.41 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.65 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 1.72 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.28 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.56 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 1.89 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.08 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.53 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.0 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.22 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.3 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 1.67 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 1.76 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.2 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 3.57 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HA ' ' HE1' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 0.97 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.21 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 1.35 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.3 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 3.93 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.17 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.12 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.41 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 3.67 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.34 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.17 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.33 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.08 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.25 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.35 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 3.87 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.556 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 0.76 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.34 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 1.91 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 0.55 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 106' ' ' THR . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 1.64 110.274 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.36 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 0.69 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.41 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 1.51 111.339 -176.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 2.96 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.29 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 0.55 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.13 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 23' ' ' LEU . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.483 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.2 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.16 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 1.91 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.24 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 0.95 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.17 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.0 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.26 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.29 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.33 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.05 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.16 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 1.59 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.01 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 0.5 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 3.48 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 2.95 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 1.55 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 0.59 110.529 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.2 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 0.82 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.13 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 119' ' ' SER . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 1.61 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 1.76 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 58' ' ' LYS . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 1.48 110.59 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.07 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 26' ' ' LEU . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.43 110.975 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.3 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.03 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 2.99 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.93 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 1.89 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.41 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.65 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.627 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 1.72 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.28 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.56 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 1.89 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.08 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.53 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.0 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.22 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.3 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 1.67 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 1.76 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.2 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 3.57 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 0.97 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 81' ' ' ASP . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.21 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 1.35 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.3 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 3.93 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.17 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.12 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.41 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.01 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 3.67 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.34 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.17 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.33 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.08 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.25 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.35 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 3.87 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.474 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 0.76 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.34 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 1.91 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 0.55 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 1.64 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.36 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 0.69 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.41 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 1.51 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 2.96 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.29 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.55 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.13 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.416 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.2 109.661 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.16 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 1.91 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 59' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.24 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 0.95 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.17 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 75' ' ' LEU . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.0 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB3' HD12 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.26 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.33 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.05 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.16 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 1.59 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.01 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.5 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 3.48 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 2.95 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 1.55 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 0.59 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.2 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.82 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.13 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.18 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 1.61 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 1.76 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 1.48 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.07 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.43 108.595 175.561 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.3 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 52' ' ' LEU . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.03 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 55' ' ' ASP . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 2.99 110.711 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.33 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 1.89 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.41 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.65 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 1.72 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.28 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.56 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 1.89 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.08 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.53 109.668 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.0 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD11 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.3 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 1.67 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 1.76 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.437 ' H ' ' HB2' ' A' ' 82' ' ' ALA . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.2 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 3.57 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.97 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.21 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 1.35 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.3 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 3.93 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.17 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.12 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.41 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.01 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 3.67 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.34 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.17 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.33 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.08 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.25 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.35 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 3.87 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.76 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HE ' HD11 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.34 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 0.55 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 1.64 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.36 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 0.69 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.41 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 1.51 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 2.96 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.29 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.55 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.13 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 1.57 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.2 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.16 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 1.91 109.593 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.24 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.95 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG12 ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.17 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.0 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.26 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.29 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.33 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.05 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.16 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 1.59 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.01 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 0.5 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 3.48 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 2.95 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 1.55 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.59 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 0.82 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.13 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.18 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 1.61 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 1.76 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 1.48 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.07 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.43 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.3 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.03 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 2.99 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.33 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.507 HD12 HD21 ' A' ' 50' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 0.93 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 1.89 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.41 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.65 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 1.72 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.28 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.56 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 1.89 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.08 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.53 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.22 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.3 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 75' ' ' LEU . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 1.67 109.291 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.671 HD11 ' HB1' ' A' ' 82' ' ' ALA . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 1.76 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.515 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.2 110.876 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 3.57 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB1' HD11 ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 0.97 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.21 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 1.35 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.3 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 3.93 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.17 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.12 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.41 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 3.67 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.34 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.17 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.33 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.08 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.25 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.35 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 3.87 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.697 ' HA ' HG22 ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.76 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.34 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 1.91 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.55 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 1.64 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.36 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 0.69 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 1.51 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 2.96 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.29 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.55 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.13 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 1.57 110.956 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD21 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.2 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' PHE . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.16 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 1.91 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.24 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 0.95 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.0 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.591 ' HE1' HD22 ' A' ' 76' ' ' LEU . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.26 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.29 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.33 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.05 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.16 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 1.59 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.01 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.5 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 3.48 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 2.95 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 1.55 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.59 110.693 178.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.2 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 0.82 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.0 t30 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.13 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.18 110.015 175.729 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 1.61 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 1.76 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 1.48 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.07 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.43 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.495 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.3 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.03 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 2.99 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.33 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 0.93 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 1.89 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.41 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.65 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.601 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 1.72 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.28 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.56 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 1.89 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.08 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.53 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.22 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.3 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 1.67 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD22 ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 1.76 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.2 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 3.57 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.692 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 0.97 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.21 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 1.35 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.3 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 3.93 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.17 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.12 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.41 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.01 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 3.67 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.34 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.17 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.33 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.08 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.25 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.35 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 3.87 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 0.76 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.34 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 0.55 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 1.64 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.36 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 0.69 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.41 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 1.51 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 2.96 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 0.55 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.13 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 1.57 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.2 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.16 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 71' ' ' LYS . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 1.91 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.24 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.95 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.17 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.26 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.29 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.33 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.05 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.16 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 1.59 109.261 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.01 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 0.5 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.48 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 2.95 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 1.55 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.2 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.82 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.13 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.18 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 1.61 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.712 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 1.76 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 52' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 1.48 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.07 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 50' ' ' LEU . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.43 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' HD11 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 92' ' ' LYS . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.3 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.738 ' HB2' HD12 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.03 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 2.99 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.33 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.93 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 98' ' ' LEU . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 1.89 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.41 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.65 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 1.72 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.28 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.56 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 1.89 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.08 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 23' ' ' LEU . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.53 110.049 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.0 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.22 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.3 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 1.67 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 1.76 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.2 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' H ' HG22 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 3.57 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.97 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.21 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 1.35 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.3 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 3.93 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.17 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.12 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 54' ' ' THR . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.41 111.186 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.01 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 3.67 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.34 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.17 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.33 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.08 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.25 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.35 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 3.87 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' HG22 ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.76 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.34 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 1.91 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 0.55 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.42 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 1.64 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.36 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.69 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.41 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 1.51 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 2.96 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.29 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 0.55 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.13 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 1.57 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.2 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.16 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 1.91 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.24 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 0.95 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 HG22 ' A' ' 74' ' ' VAL . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.17 108.633 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.0 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 82' ' ' ALA . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.26 110.415 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.29 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.33 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.05 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.16 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 1.59 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.01 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.5 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 3.48 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 2.95 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 1.55 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.59 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.2 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 0.82 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.13 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.18 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 1.61 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 1.76 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD21 HD12 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 1.48 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.07 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.43 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 57' ' ' LYS . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.3 109.756 174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.03 110.97 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 2.99 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.33 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 0.93 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 1.89 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.41 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.65 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 1.72 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.28 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.56 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 1.89 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.08 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.53 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.22 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.3 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 1.67 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 1.76 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.2 108.831 171.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 3.57 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 0.97 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.21 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 1.35 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 3.93 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.17 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.12 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.565 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.01 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 3.67 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.34 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ALA . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.17 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.33 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.08 110.556 -173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.25 112.1 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.35 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 3.87 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.511 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.76 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.34 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 1.91 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 0.55 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 106' ' ' THR . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 1.64 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.36 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 0.69 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.41 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 1.51 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 2.96 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.29 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 0.55 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.13 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 1.57 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.2 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.16 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 1.91 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.24 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 0.95 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.17 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.0 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.26 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.29 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.33 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.565 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.05 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.16 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 1.59 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' HB3' ' A' ' 108' ' ' PRO . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 0.5 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 3.48 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 2.95 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 1.55 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 0.59 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.2 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 0.82 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.13 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 1.61 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 1.76 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.48 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.07 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.43 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.3 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.03 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 2.99 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 0.93 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 1.89 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.41 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.65 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 1.72 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.28 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.56 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 1.89 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.08 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.53 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.0 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.22 109.442 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.3 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 1.67 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 1.76 111.016 -168.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.2 109.276 173.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 3.57 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 0.97 111.695 -175.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.21 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 1.35 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.3 110.85 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 3.93 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.17 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.12 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.41 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.01 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 3.67 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.34 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.17 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.33 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.08 110.15 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.25 112.392 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 3.87 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.76 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.34 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 1.91 110.402 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.55 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 1.64 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.36 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 0.69 113.383 176.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.41 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 1.51 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 2.96 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.29 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 0.55 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.13 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 1.57 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.2 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.16 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 1.91 111.499 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 72' ' ' ILE . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.24 108.859 172.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 0.95 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.17 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.0 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.26 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.29 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' HD11 ' A' ' 35' ' ' ILE . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.33 109.172 167.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.05 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.16 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.586 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 1.59 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 30' ' ' ASN . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.01 111.119 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.5 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 2.95 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.427 ' HE3' ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 1.55 109.96 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.59 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.2 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 0.82 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.13 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.18 109.886 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 1.61 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 1.76 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 62' ' ' ILE . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 1.48 110.932 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.07 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.43 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.3 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.03 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 2.99 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.33 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 50' ' ' LEU . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 0.93 111.167 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 1.89 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.41 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.65 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.72 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.28 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.56 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 1.89 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.495 HG22 HD23 ' A' ' 66' ' ' LEU . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.08 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.53 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 24' ' ' LEU . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.0 111.421 -173.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.22 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.3 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 1.67 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 1.76 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.2 109.996 172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 3.57 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.97 111.306 176.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.21 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 1.35 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.3 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 3.93 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.17 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.12 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.41 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 3.67 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.34 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.17 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.33 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.08 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.25 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 72' ' ' ILE . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.35 110.877 -176.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 3.87 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 0.76 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.34 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 1.91 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 0.55 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' HD11 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 1.64 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.586 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.36 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 0.69 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 0.41 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 1.51 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 2.96 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.29 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 0.55 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.13 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 1.57 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.2 112.181 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.16 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 1.91 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.24 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 0.95 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.17 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 51' ' ' THR . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.0 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 53' ' ' GLU . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.26 109.494 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.29 109.496 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.33 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.05 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.16 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 1.59 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.01 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 0.5 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 3.48 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 2.95 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 1.55 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 0.59 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.2 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 0.82 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.13 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 119' ' ' SER . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.18 110.64 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 1.61 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 1.76 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 1.48 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.07 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.43 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.3 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.03 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 2.99 110.482 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.93 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 1.89 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.41 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.65 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 1.72 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.28 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.56 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 1.89 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.08 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.53 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.22 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.3 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 1.67 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 1.76 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.2 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 3.57 111.187 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.97 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.21 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 1.35 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.3 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 3.93 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.17 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.12 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.41 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.01 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 3.67 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.34 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.17 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.33 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.08 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.25 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.516 HG22 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.35 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 3.87 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.534 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 0.76 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.34 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 0.55 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.47 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 1.64 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.36 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 0.69 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 0.41 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 1.51 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 2.96 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.29 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 0.55 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.13 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 1.57 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 47' ' ' LEU . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.2 111.153 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.16 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 73' ' ' LEU . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 1.91 110.674 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 72' ' ' ILE . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.24 108.964 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 0.95 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.17 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.0 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.26 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.29 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.33 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.05 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.16 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 1.59 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.01 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.5 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 3.48 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 2.95 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.678 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 1.55 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 0.59 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 0.82 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.13 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.18 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 1.61 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 1.76 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 1.48 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.07 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.43 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.3 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.03 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 2.99 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.33 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 0.93 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 1.89 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.41 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.65 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.681 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 1.72 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.28 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.56 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 1.89 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.08 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.53 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HD23 ' A' ' 24' ' ' LEU . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.0 111.088 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 23' ' ' LEU . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.22 108.914 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.3 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 1.67 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 1.76 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.2 109.47 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 3.57 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 0.97 111.843 -174.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.21 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 1.35 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.3 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 3.93 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.17 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.12 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' HD13 ' A' ' 89' ' ' ILE . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.41 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.01 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 3.67 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.34 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.17 110.159 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.33 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.08 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.25 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.35 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 3.87 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 0.76 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.34 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 1.91 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 0.55 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 1.64 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.36 109.418 -176.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 107' ' ' SER . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 0.69 112.005 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 0.41 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 1.51 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.29 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.55 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.678 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.13 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.411 ' HB2' HD22 ' A' ' 23' ' ' LEU . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 1.57 111.109 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.2 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.16 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 1.91 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.24 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.8 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 0.95 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.17 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.0 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.26 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.29 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.33 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.05 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.16 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 1.59 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.01 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.5 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 3.48 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 2.95 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 1.55 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.2 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 0.82 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.7 t30 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.13 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.18 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 1.61 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 1.76 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 1.48 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.07 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.43 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.3 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.634 ' OD2' HD12 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.03 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 2.99 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.634 HD12 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.33 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.93 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 1.89 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.41 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.65 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 1.72 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.28 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.56 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 1.89 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.08 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.53 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.22 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.3 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 1.67 109.126 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 1.76 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.2 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 3.57 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 0.97 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.21 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 1.35 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.3 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 3.93 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.17 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.12 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.41 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.01 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 3.67 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.34 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.17 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.33 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.08 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.25 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.35 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 3.87 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 74' ' ' VAL . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 0.76 111.013 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 105' ' ' VAL . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.34 110.179 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 1.91 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 103' ' ' ARG . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 0.55 111.233 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 1.64 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.36 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 0.69 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 0.41 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 1.51 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 2.96 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.29 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 0.55 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.13 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 1.57 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.2 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.16 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 1.91 110.078 -177.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.24 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 0.95 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.17 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.0 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.26 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.29 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.33 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.486 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.05 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.16 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 1.59 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 0.5 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 3.48 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 2.95 111.459 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 1.55 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.59 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.2 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 0.82 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.13 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD11 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.18 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 1.61 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 1.76 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 1.48 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.07 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.43 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.3 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.03 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 2.99 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 63' ' ' LEU . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.33 111.82 -172.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 0.93 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 1.89 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.41 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.65 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 1.72 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.28 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.56 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 1.89 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.08 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.53 108.923 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.0 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.22 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.3 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 1.67 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 1.76 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.2 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 3.57 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 0.97 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.21 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 1.35 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.3 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 3.93 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.17 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.12 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.41 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.01 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 3.67 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.34 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.17 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.33 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.08 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.25 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 3.87 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.76 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.34 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 1.91 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.55 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 1.64 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.36 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 0.69 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 0.41 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 1.51 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 2.96 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.29 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 0.55 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.13 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 1.57 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.514 ' OG ' HD11 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.16 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' HD22 ' A' ' 47' ' ' LEU . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 1.91 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 50' ' ' LEU . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.24 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 0.95 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 50' ' ' LEU . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.17 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.0 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.26 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.29 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.33 109.602 174.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.05 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.16 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 1.59 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 0.5 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 3.48 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 2.95 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.59 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.2 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.82 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.13 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 119' ' ' SER . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.18 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 1.76 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 24' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 1.48 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.07 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.43 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.3 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.03 111.993 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 2.99 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.33 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.93 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 59' ' ' ILE . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 1.89 111.988 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.41 109.519 172.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.65 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 1.72 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.28 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.56 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 1.89 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.08 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' HD22 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.53 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.0 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.22 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.3 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 1.67 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 1.76 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.2 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 3.57 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HA ' HG23 ' A' ' 85' ' ' VAL . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 0.97 112.248 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.21 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 82' ' ' ALA . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 1.35 109.448 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.3 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 3.93 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.17 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.12 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.41 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.01 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 3.67 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.34 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.17 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.33 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.08 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.25 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.35 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 3.87 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' ' 74' ' ' VAL . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.76 111.956 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.34 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 1.91 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.55 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 1.64 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.36 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 0.69 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 0.41 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 1.51 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 2.96 110.629 177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.29 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 47' ' ' LEU . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.55 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.13 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 1.57 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' LEU . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.2 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.16 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 1.91 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.24 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 0.95 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.17 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.0 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.26 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.29 109.212 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.582 HD22 ' H ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.33 109.382 167.191 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.05 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.16 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.01 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 3.48 111.106 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 2.95 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.55 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.59 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.2 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 0.82 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.13 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.18 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 1.61 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 1.76 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 62' ' ' ILE . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 1.48 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.07 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.43 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.3 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.03 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 2.99 111.806 -172.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.33 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 50' ' ' LEU . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 0.93 111.271 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 72' ' ' ILE . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 1.89 111.076 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.65 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 1.72 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.28 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.56 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 1.89 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.08 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.53 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 63' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.22 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 1.67 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.2 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 3.57 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 0.97 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.21 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 1.35 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.3 109.509 177.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 3.93 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.17 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.12 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.41 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.01 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 3.67 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.34 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.17 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.33 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.08 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.25 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.35 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 3.87 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 86' ' ' LYS . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 0.76 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.34 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 1.91 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 0.55 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 1.64 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.36 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 0.69 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.41 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 37' ' ' GLU . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 1.51 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 2.96 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.29 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.13 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 1.57 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.478 ' CB ' HD21 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.2 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.16 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 1.91 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 63' ' ' LEU . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.24 108.985 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 0.95 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.17 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.0 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.26 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.29 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.33 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.05 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.16 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 1.59 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.5 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 3.48 110.608 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 2.95 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.55 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.59 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.2 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.82 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.13 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.18 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 1.61 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 1.76 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 1.48 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.07 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.43 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.528 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.03 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 2.99 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.528 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.33 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 50' ' ' LEU . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 0.93 111.265 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 24' ' ' LEU . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 1.89 111.577 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.41 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.65 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 70' ' ' VAL . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 1.72 111.359 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.28 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.56 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 1.89 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.08 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.53 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.22 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.3 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 1.67 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.453 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.2 109.322 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 3.57 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.801 -175.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.21 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 1.35 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.3 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 3.93 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.17 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.12 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.41 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.01 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 3.67 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.34 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.17 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.33 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.08 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.25 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.35 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 3.87 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 0.76 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.34 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 1.91 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 0.55 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.483 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 1.64 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.36 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 0.69 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 0.41 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 1.51 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 2.96 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.404 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.29 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 0.55 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.13 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 1.57 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.2 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.16 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 1.91 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.24 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 0.95 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.17 108.31 171.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.26 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.29 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.33 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.555 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.05 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.16 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' SER . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.01 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.5 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 3.48 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 2.95 110.901 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.2 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 0.82 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.13 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 119' ' ' SER . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.18 110.065 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 1.61 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 39' ' ' ARG . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 1.76 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 62' ' ' ILE . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.48 110.406 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.43 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.3 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.03 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 2.99 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.33 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' HD22 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.93 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 1.89 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.41 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.65 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 1.72 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.28 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.56 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 1.89 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.08 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.53 109.123 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.0 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.3 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 1.67 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 1.76 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.529 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.2 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 3.57 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.529 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.21 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 1.35 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.3 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 3.93 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.17 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.12 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 89' ' ' ILE . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.41 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.01 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 3.67 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.34 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.17 109.073 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.33 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.08 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.25 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 3.87 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 0.76 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.34 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.55 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 1.64 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.36 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 0.69 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.41 110.609 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 1.51 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 2.96 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.29 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.55 110.855 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.13 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 1.57 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.2 111.633 -176.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.16 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 1.91 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 50' ' ' LEU . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.24 109.405 175.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 0.95 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.17 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.0 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.26 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.29 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.33 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.05 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.16 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 1.59 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.01 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.5 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 2.95 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 0.59 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.2 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 0.82 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.13 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.18 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 1.61 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 1.76 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 24' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 1.48 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.07 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.43 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.3 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.03 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 2.99 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.33 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 HD21 ' A' ' 50' ' ' LEU . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.93 111.235 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 1.89 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.41 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.65 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.52 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 1.72 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.28 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.56 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 1.89 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.08 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.53 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.22 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.3 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 75' ' ' LEU . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 1.67 110.181 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 1.76 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.2 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 3.57 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 0.97 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.21 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 1.35 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.3 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 3.93 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.17 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.12 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.41 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 3.67 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.34 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.17 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.33 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.08 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.25 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.35 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 3.87 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 0.76 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.34 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 1.91 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 0.55 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 1.64 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.36 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 0.69 112.708 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 0.41 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 1.51 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 2.96 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.29 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 0.55 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.13 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 1.57 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.2 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.16 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 47' ' ' LEU . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 1.91 109.632 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.24 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 0.95 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.17 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.0 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.26 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.29 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.33 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.05 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.16 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 1.59 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 0.5 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 3.48 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 2.95 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 1.55 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 0.59 110.432 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.2 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 0.82 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.13 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 HD23 ' A' ' 23' ' ' LEU . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.18 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 1.61 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 1.76 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 1.48 110.793 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.07 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.43 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD23 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.3 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.03 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 2.99 111.684 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.33 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.473 HD12 HD21 ' A' ' 50' ' ' LEU . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 0.93 111.25 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 1.89 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.41 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 1.72 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.28 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.56 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 1.89 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.08 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.53 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.22 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.3 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 1.67 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 1.76 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.5 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.2 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 3.57 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 0.97 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.21 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 1.35 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.3 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 3.93 111.386 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.17 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.12 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.41 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.01 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 3.67 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.34 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.17 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.33 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.08 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.25 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.429 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.35 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 3.87 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.461 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.76 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.34 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 1.91 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 0.55 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.5 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 1.64 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.36 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 0.69 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.41 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 2.96 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 0.55 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.13 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 23' ' ' LEU . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 1.57 110.385 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.406 ' OG ' HD21 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.2 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.16 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 1.91 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.24 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 0.95 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.17 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.0 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.26 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.29 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.33 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.05 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.16 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 1.59 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.01 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.5 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 3.48 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 2.95 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.402 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 1.55 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 0.59 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.2 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 0.82 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.13 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.18 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 1.61 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.65 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 1.76 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 1.48 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.4 ' HG1' HG23 ' A' ' 27' ' ' ILE . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.07 109.718 174.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.43 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.3 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.03 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 2.99 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.33 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.93 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 1.89 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.41 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 1.72 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.28 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.56 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 1.89 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.08 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.53 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.0 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.22 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG13 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.3 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 1.67 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 1.76 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.2 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 3.57 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 0.97 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.21 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.3 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 3.93 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.17 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.12 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.01 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 3.67 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.34 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.17 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 m120 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.33 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.08 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.25 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 3.87 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.702 ' HA ' HG13 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.76 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HG3' HG13 ' A' ' 105' ' ' VAL . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.34 109.988 174.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.91 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HG3' ' A' ' 103' ' ' ARG . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 0.55 111.384 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 1.64 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.36 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 0.69 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 0.41 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.51 ' HD2' ' HG3' ' A' ' 37' ' ' GLU . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 2.96 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.29 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 0.55 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.13 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.503 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 1.57 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.429 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.2 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.16 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 118' ' ' PHE . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 1.91 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.24 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 0.95 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.17 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.0 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HE1' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.26 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.29 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.33 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.05 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.16 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 1.59 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.01 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 0.5 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 3.48 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 2.95 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 1.55 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 0.59 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.2 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 0.82 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.13 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.18 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 1.61 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 1.76 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 1.48 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.07 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.43 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.3 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 50' ' ' LEU . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.03 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 2.99 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 26' ' ' LEU . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.33 110.875 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 50' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.93 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 1.89 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.41 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.65 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 1.72 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.28 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.56 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 1.89 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.08 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.53 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.0 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.22 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.3 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 1.67 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 1.76 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.2 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 3.57 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HA ' ' HE1' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 0.97 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.21 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 1.35 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.3 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 3.93 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.17 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.12 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.41 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 3.67 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.34 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.17 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.33 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.08 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.25 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.35 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 3.87 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.556 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 0.76 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.34 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 1.91 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 0.55 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 106' ' ' THR . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 1.64 110.274 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.36 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 0.69 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.41 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 1.51 111.339 -176.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 2.96 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.29 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 0.55 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.13 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 23' ' ' LEU . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.483 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.2 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.16 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 1.91 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.24 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 0.95 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.17 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.0 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.26 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.29 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.33 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.05 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.16 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 1.59 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.01 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 0.5 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 3.48 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 2.95 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 1.55 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 0.59 110.529 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.2 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 0.82 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.13 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 119' ' ' SER . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 1.61 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 1.76 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 58' ' ' LYS . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 1.48 110.59 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.07 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 26' ' ' LEU . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.43 110.975 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.3 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.03 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 2.99 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.93 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 1.89 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.41 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.65 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.627 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 1.72 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.28 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.56 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 1.89 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.08 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.53 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.0 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.22 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.3 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 1.67 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 1.76 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.2 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 3.57 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 0.97 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 81' ' ' ASP . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.21 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 1.35 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.3 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 3.93 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.17 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.12 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.41 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.01 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 3.67 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.34 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.17 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.33 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.08 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.25 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.35 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 3.87 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.474 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 0.76 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.34 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 1.91 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 0.55 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 1.64 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.36 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 0.69 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.41 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 1.51 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 2.96 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.29 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.55 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.13 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.416 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.2 109.661 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.16 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 1.91 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 59' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.24 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 0.95 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.17 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 75' ' ' LEU . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.0 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB3' HD12 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.26 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.33 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.559 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.05 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.16 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 1.59 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.01 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.5 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 3.48 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 2.95 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 1.55 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 0.59 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.2 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.82 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.13 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.18 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 1.61 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 1.76 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 1.48 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.07 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.43 108.595 175.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.3 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 52' ' ' LEU . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.03 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 55' ' ' ASP . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 2.99 110.711 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.33 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 1.89 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.41 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.65 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 1.72 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.28 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.56 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 1.89 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.08 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.53 109.668 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.0 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.591 HD11 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.3 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 1.67 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 1.76 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.437 ' H ' ' HB2' ' A' ' 82' ' ' ALA . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.2 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 3.57 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.97 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.21 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 1.35 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.3 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 3.93 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.17 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.12 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.41 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.01 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 3.67 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.34 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.17 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.33 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.08 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.25 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.35 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 3.87 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.76 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HE ' HD11 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.34 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 0.55 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 1.64 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.36 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 0.69 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.41 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 1.51 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 2.96 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.29 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.55 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.13 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 1.57 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.2 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.16 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 1.91 109.593 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.24 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.95 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG12 ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.17 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.0 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.26 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.29 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.33 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.05 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.16 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 1.59 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.01 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 0.5 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 3.48 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 2.95 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 1.55 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.59 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 0.82 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.13 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.18 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 1.61 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 1.76 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 1.48 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.07 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.43 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.3 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.03 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 2.99 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.33 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.507 HD12 HD21 ' A' ' 50' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 0.93 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 1.89 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.41 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.65 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 1.72 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.28 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.56 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 1.89 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.08 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.53 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.22 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.3 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 75' ' ' LEU . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 1.67 109.291 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.671 HD11 ' HB1' ' A' ' 82' ' ' ALA . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 1.76 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.515 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.2 110.876 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 3.57 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB1' HD11 ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 0.97 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.21 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 1.35 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.3 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 3.93 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.17 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.12 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.41 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 3.67 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.34 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.17 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.33 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.08 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.25 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.35 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 3.87 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.697 ' HA ' HG22 ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.76 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.34 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 1.91 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.55 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 1.64 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.36 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 0.69 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 1.51 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 2.96 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.29 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.55 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.13 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 1.57 110.956 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD21 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.2 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' PHE . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.16 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 1.91 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.24 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 0.95 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.0 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.591 ' HE1' HD22 ' A' ' 76' ' ' LEU . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.26 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.29 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.33 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.05 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.16 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 1.59 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.01 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.5 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 3.48 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 2.95 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 1.55 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.59 110.693 178.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.2 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 0.82 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.13 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.18 110.015 175.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 1.61 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 1.76 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 1.48 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.07 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.43 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.495 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.3 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.03 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 2.99 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.33 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 0.93 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 1.89 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.41 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.65 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.601 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 1.72 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.28 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.56 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 1.89 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.08 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.53 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.22 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.3 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 1.67 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.591 HD22 ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 1.76 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.2 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 3.57 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.692 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 0.97 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.21 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 1.35 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.3 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 3.93 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.17 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.12 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.41 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.01 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 3.67 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.34 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.17 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.33 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.08 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.25 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.35 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 3.87 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 0.76 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.34 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 0.55 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 1.64 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.36 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 0.69 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.41 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 1.51 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 2.96 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 0.55 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.13 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 1.57 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.2 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.16 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 71' ' ' LYS . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 1.91 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.24 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.95 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.17 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.26 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.29 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.33 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.05 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.16 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 1.59 109.261 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.01 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 0.5 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.48 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 2.95 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 1.55 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.2 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.82 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m120 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.13 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.18 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 1.61 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.712 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 1.76 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 52' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 1.48 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.07 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 50' ' ' LEU . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.43 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' HD11 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 92' ' ' LYS . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.3 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.738 ' HB2' HD12 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.03 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 2.99 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.33 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.93 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 98' ' ' LEU . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 1.89 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.41 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.65 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 1.72 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.28 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.56 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 1.89 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.08 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 23' ' ' LEU . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.53 110.049 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.0 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.22 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.3 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 1.67 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 1.76 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.42 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.2 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' H ' HG22 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 3.57 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.97 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.21 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 1.35 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.3 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 3.93 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.17 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.12 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 54' ' ' THR . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.41 111.186 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.01 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 3.67 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.34 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.17 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.3 m120 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.33 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.08 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.25 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.35 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 3.87 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' HG22 ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.76 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.34 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 1.91 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 0.55 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.42 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 1.64 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.36 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.69 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.41 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 1.51 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 2.96 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.29 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 0.55 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.13 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 1.57 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.2 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.16 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 1.91 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.24 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 0.95 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 HG22 ' A' ' 74' ' ' VAL . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.17 108.633 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.0 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 82' ' ' ALA . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.26 110.415 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.29 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.33 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.05 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.16 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 1.59 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.01 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.5 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 3.48 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 2.95 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 1.55 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.59 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.2 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 0.82 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.13 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.18 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 1.61 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 1.76 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.547 HD21 HD12 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 1.48 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.07 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.43 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 57' ' ' LYS . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.3 109.756 174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.565 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.03 110.97 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 2.99 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.33 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 0.93 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 1.89 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.41 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.65 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 1.72 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.28 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.56 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 1.89 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.08 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.53 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.22 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.3 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 1.67 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 1.76 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.46 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.2 108.831 171.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 3.57 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 0.97 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.21 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 1.35 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 3.93 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.17 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.12 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.565 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.01 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 3.67 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.34 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ALA . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.17 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.33 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.08 110.556 -173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.25 112.1 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.35 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 3.87 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.511 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.76 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.34 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 1.91 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 0.55 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 106' ' ' THR . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 1.64 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.36 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 0.69 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.41 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 1.51 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 2.96 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.427 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.29 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 0.55 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.13 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 1.57 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.2 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.16 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 1.91 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.24 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 0.95 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.17 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.0 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.26 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.29 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.33 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.565 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.05 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.16 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 1.59 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' HB3' ' A' ' 108' ' ' PRO . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 0.5 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 3.48 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 2.95 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 1.55 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 0.59 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.2 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 0.82 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.13 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 1.61 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 1.76 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.48 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.07 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.43 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.3 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.03 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 2.99 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 0.93 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 1.89 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.41 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.65 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 1.72 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.28 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.56 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 1.89 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.08 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.53 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.0 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.22 109.442 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.3 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 1.67 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 1.76 111.016 -168.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.2 109.276 173.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 3.57 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 0.97 111.695 -175.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.21 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 1.35 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.3 110.85 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 3.93 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.17 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.12 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.41 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.01 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 3.67 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.34 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.17 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.33 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.08 110.15 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.25 112.392 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 3.87 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.76 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.34 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 1.91 110.402 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.55 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 1.64 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.36 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 0.69 113.383 176.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.41 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 1.51 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 2.96 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.29 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 0.55 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.13 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 1.57 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.2 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.16 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 1.91 111.499 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 72' ' ' ILE . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.24 108.859 172.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 0.95 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.17 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.0 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.26 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.29 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' HD11 ' A' ' 35' ' ' ILE . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.33 109.172 167.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.493 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.05 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.16 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.586 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 1.59 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 30' ' ' ASN . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.01 111.119 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.5 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 2.95 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.427 ' HE3' ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 1.55 109.96 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.59 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.2 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 0.82 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.13 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.18 109.886 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 1.61 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 1.76 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 62' ' ' ILE . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 1.48 110.932 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.07 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.43 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.3 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.03 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 2.99 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.33 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 50' ' ' LEU . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 0.93 111.167 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 1.89 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.41 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.65 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.72 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.28 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.56 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 1.89 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.495 HG22 HD23 ' A' ' 66' ' ' LEU . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.08 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.53 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 24' ' ' LEU . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.0 111.421 -173.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.22 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.3 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 1.67 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 1.76 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.2 109.996 172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 3.57 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.97 111.306 176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.21 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 1.35 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.3 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 3.93 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.17 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.12 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.41 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 3.67 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.34 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.17 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.33 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.08 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.25 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 72' ' ' ILE . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.35 110.877 -176.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 3.87 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 0.76 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.34 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 1.91 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 0.55 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' HD11 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 1.64 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.586 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.36 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 0.69 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 0.41 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 1.51 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 2.96 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.29 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 0.55 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.13 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 1.57 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.2 112.181 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.16 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 1.91 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.24 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 0.95 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.17 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 51' ' ' THR . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.0 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 53' ' ' GLU . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.26 109.494 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.29 109.496 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.33 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.05 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.16 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 1.59 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.01 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 0.5 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 3.48 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 2.95 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 1.55 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 0.59 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.2 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 0.82 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.13 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 119' ' ' SER . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.18 110.64 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 1.61 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 1.76 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 1.48 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.07 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.43 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.3 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.03 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 2.99 110.482 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.93 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 1.89 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.41 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.65 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 1.72 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.28 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.56 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 1.89 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.08 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.53 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.22 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.3 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 1.67 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 1.76 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.2 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 3.57 111.187 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.97 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.21 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 1.35 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.3 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 3.93 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.17 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.12 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.41 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.01 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 3.67 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.34 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.17 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.33 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.08 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.25 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.516 HG22 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.35 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 3.87 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.534 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 0.76 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.34 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 0.55 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.47 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 1.64 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.36 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 0.69 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 0.41 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 1.51 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 2.96 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.29 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 0.55 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.13 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 1.57 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 47' ' ' LEU . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.2 111.153 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.16 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 73' ' ' LEU . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 1.91 110.674 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 72' ' ' ILE . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.24 108.964 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 0.95 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.578 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.17 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.0 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.26 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.29 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.33 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.05 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.16 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 1.59 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.01 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.5 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 3.48 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 2.95 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.678 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 1.55 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 0.59 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 0.82 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.13 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.18 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 1.61 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 1.76 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 1.48 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.07 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.43 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.3 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.03 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 2.99 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.33 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 0.93 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 1.89 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.41 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.65 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.681 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 1.72 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.28 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.56 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 1.89 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.08 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.53 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HD23 ' A' ' 24' ' ' LEU . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.0 111.088 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 23' ' ' LEU . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.22 108.914 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.3 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 1.67 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 1.76 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.2 109.47 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 3.57 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 0.97 111.843 -174.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.21 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 1.35 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.3 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 3.93 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.17 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.12 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' HD13 ' A' ' 89' ' ' ILE . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.41 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.01 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 3.67 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.34 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.17 110.159 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.33 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.08 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.25 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.35 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 3.87 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 0.76 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.34 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 1.91 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 0.55 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 1.64 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.36 109.418 -176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 107' ' ' SER . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 0.69 112.005 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 0.41 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 1.51 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.29 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.55 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.678 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.13 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . 0.411 ' HB2' HD22 ' A' ' 23' ' ' LEU . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 1.57 111.109 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.2 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.16 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 1.91 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.24 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.8 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 0.95 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.17 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.0 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.26 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.29 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.33 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.05 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.16 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 1.59 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.01 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.5 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 3.48 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 2.95 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 1.55 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.2 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 0.82 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.13 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.18 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 1.61 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.8 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 1.76 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 1.48 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.07 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.43 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.3 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.634 ' OD2' HD12 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.03 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 2.99 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.634 HD12 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.33 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.93 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 1.89 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.41 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.65 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 1.72 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.28 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.56 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 1.89 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.08 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.53 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.22 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.3 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 1.67 109.126 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 1.76 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.2 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 3.57 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 0.97 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.21 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 1.35 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.3 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 3.93 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.17 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.12 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.41 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.01 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 3.67 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.34 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.17 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.33 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.08 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.25 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.35 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 3.87 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 74' ' ' VAL . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 0.76 111.013 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 105' ' ' VAL . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.34 110.179 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 1.91 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 103' ' ' ARG . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 0.55 111.233 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 1.64 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.36 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 0.69 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 0.41 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 1.51 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 2.96 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.29 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 0.55 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.13 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 1.57 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.2 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.788 -0.525 . . . . 1.16 111.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -126.19 124.79 41.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.078 -0.342 . . . . 1.91 110.078 -177.84 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.5 tp -119.16 141.59 48.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.526 -0.546 . . . . 1.24 109.526 177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.662 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.1 t -115.29 132.7 63.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.877 0.37 . . . . 0.95 110.479 -178.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 93.6 mt -124.2 141.04 52.39 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.219 -0.66 . . . . 1.17 109.219 175.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 51' ' ' THR . 9.0 tt -144.11 132.7 18.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.892 0.377 . . . . 1.0 110.956 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -131.46 93.83 3.42 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-O 121.701 0.763 . . . . 2.26 109.585 170.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 p -146.4 118.45 8.25 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 114.656 -1.156 . . . . 1.29 107.979 170.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -83.61 70.45 10.29 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 118.703 -1.199 . . . . 2.33 109.78 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.486 ' OD2' ' HG2' ' A' ' 33' ' ' LYS . 14.7 t70 -118.67 142.92 47.2 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.267 -1.333 . . . . 1.45 108.894 171.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.2 -36.42 79.54 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.257 0.466 . . . . 3.05 112.257 -177.261 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.486 ' HG2' ' OD2' ' A' ' 31' ' ' ASP . 19.0 ptpt -91.07 -36.26 14.13 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 120.438 -0.505 . . . . 3.16 111.372 -173.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.6 mt -57.14 -49.23 76.57 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.853 0.358 . . . . 1.59 110.928 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.652 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 70.5 mt -62.57 -49.74 82.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.963 -0.562 . . . . 1.01 110.652 -179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -64.71 -39.63 93.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 2.62 111.53 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -66.66 -44.02 82.98 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 121.023 0.44 . . . . 1.61 110.412 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.98 -36.76 84.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.735 -0.666 . . . . 0.5 111.277 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.652 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 69.8 mtp180 -57.87 -52.09 66.9 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.32 -0.4 . . . . 3.48 110.67 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -64.11 -46.17 85.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.707 -0.679 . . . . 2.95 111.459 -176.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.441 ' SD ' ' HE3' ' A' ' 112' ' ' LYS . 10.4 tpt -67.7 -41.32 83.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.752 0.31 . . . . 1.55 111.147 -173.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -66.69 -42.49 86.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.919 0.39 . . . . 0.59 110.247 177.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -61.22 -34.41 75.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.806 -0.634 . . . . 2.38 110.469 178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -62.1 -35.42 78.66 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.991 -0.55 . . . . 2.2 110.656 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.76 15.46 23.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.876 0.37 . . . . 0.82 110.939 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 t30 59.63 44.61 14.21 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.475 -0.784 . . . . 2.13 110.883 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD11 ' OG ' ' A' ' 119' ' ' SER . 58.7 mt -106.29 176.09 5.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.951 -0.568 . . . . 1.18 109.998 176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 -130.98 133.18 45.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.937 -0.574 . . . . 1.61 109.852 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.662 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -123.57 148.98 45.84 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.154 -0.475 . . . . 1.76 109.993 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -132.12 149.15 52.47 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.115 -0.493 . . . . 1.48 110.378 178.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 2.2 m -88.49 150.2 23.24 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 107.628 -1.249 . . . . 2.07 107.628 170.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.2 106.49 18.49 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.556 0.693 . . . . 3.43 111.208 -171.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -146.11 -59.86 0.31 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.723 -1.126 . . . . 2.97 108.358 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 t -111.37 109.03 18.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.341 -0.845 . . . . 3.3 109.323 170.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.48 -61.3 1.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.962 -0.563 . . . . 3.66 111.498 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.485 ' OD1' ' HG3' ' A' ' 57' ' ' LYS . 6.9 p-10 -54.77 -45.41 74.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.539 -0.755 . . . . 2.98 112.916 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.485 ' HG3' ' OD1' ' A' ' 56' ' ' ASP . 54.9 mttp -79.8 -49.15 12.41 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.203 0.445 . . . . 4.03 112.203 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -77.11 -50.22 13.51 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.986 0.365 . . . . 2.99 111.986 -175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.413 HG22 HD23 ' A' ' 63' ' ' LEU . 90.4 mt -65.29 -46.89 89.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 111.82 0.304 . . . . 1.33 111.82 -172.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 63' ' ' LEU . 43.3 tt0 -64.84 -40.19 94.79 Favored 'General case' 0 N--CA 1.462 0.13 0 C-N-CA 120.598 -0.441 . . . . 2.01 111.034 -177.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -57.76 -51.78 68.15 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.136 0.493 . . . . 2.27 110.662 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.457 HD12 HD21 ' A' ' 50' ' ' LEU . 47.0 mt -68.75 -43.41 82.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.822 -0.626 . . . . 0.93 111.591 -177.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.3 pp -65.32 -32.6 74.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.756 -0.378 . . . . 1.89 110.321 -176.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -69.43 -20.99 63.78 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.863 0.363 . . . . 3.41 110.975 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.4 m -81.69 -19.49 41.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.178 -0.464 . . . . 1.65 110.816 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -68.21 -41.49 81.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.554 -0.294 . . . . 1.72 111.097 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 116.05 -95.03 0.67 Allowed Glycine 0 CA--C 1.519 0.31 0 C-N-CA 120.507 -0.854 . . . . 1.28 113.162 176.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.65 174.62 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 C-N-CA 123.281 2.654 . . . . 1.56 112.683 -177.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.63 114.77 1.84 Allowed 'Trans proline' 0 C--N 1.352 0.713 0 C-N-CA 122.341 2.027 . . . . 1.89 110.8 172.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.81 134.52 31.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.009 -0.541 . . . . 1.08 111.356 -170.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -96.33 130.25 43.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.923 -0.769 . . . . 2.53 108.923 174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.457 ' HB ' HG22 ' A' ' 100' ' ' VAL . 44.9 mt -105.4 126.2 60.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.222 0.534 . . . . 1.0 111.359 -176.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.424 HD13 ' C ' ' A' ' 73' ' ' LEU . 3.1 tm? -104.72 116.12 31.48 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.044 -1.095 . . . . 1.22 108.044 176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 23.2 t -113.39 132.09 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.743 0.306 . . . . 1.3 111.721 -173.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.8 mt -106.25 117.25 33.56 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.525 -0.546 . . . . 1.67 109.525 173.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 72.2 mt -123.29 108.16 12.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.776 0.322 . . . . 1.76 110.475 178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.49 143.14 51.79 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.574 -0.528 . . . . 1.74 109.574 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 104' ' ' LYS . 12.9 m-20 -70.94 86.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.279 0.561 . . . . 1.85 110.881 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -112.67 168.34 9.75 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.465 -0.788 . . . . 1.2 109.476 176.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.1 -55.35 24.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.019 0.438 . . . . 3.57 111.324 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.696 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 6.1 m-20 -70.38 -22.04 62.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.782 -0.644 . . . . 2.24 112.542 -175.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -47.87 -25.65 1.39 Allowed 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 114.054 1.131 . . . . 0.97 114.054 -172.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -74.24 -30.56 62.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.063 0.459 . . . . 2.33 110.091 -175.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.696 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 16.2 ptpt -77.06 -31.1 55.86 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.988 -0.551 . . . . 3.21 109.744 -179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.2 t -77.76 -37.28 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 109.24 -0.652 . . . . 1.35 109.24 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttp -61.73 -42.71 99.32 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.212 0.53 . . . . 2.3 109.696 175.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 22.4 tptm -57.88 -55.15 38.6 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 115.183 -0.917 . . . . 3.93 110.499 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -63.16 -40.54 97.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.935 -0.575 . . . . 2.58 111.781 -176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.23 -52.91 55.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.724 -0.216 . . . . 1.17 110.95 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 47.6 mt-10 -71.1 -33.99 70.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.951 0.352 . . . . 2.08 111.951 -175.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 32.7 mmmt -62.44 -44.81 95.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.005 0.431 . . . . 3.12 109.924 175.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -70.61 -29.46 65.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.032 -0.531 . . . . 2.41 110.882 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.22 99.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.878 0.371 . . . . 1.01 110.928 177.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 90' ' ' GLU . 33.1 mmt180 -72.36 -43.96 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.042 -0.526 . . . . 3.67 109.623 179.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -59.6 -48.88 79.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.321 -0.854 . . . . 3.34 111.382 -179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -91.38 10.45 27.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.233 -0.439 . . . . 2.17 111.455 -175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 43.4 46.62 5.69 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.453 1.101 . . . . 2.33 113.085 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.413 ' O ' HG23 ' A' ' 100' ' ' VAL . 64.2 mt -110.05 126.08 29.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.066 -0.516 . . . . 2.08 110.647 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -55.61 118.75 5.55 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.28 1.987 . . . . 1.25 111.848 172.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG22 ' HB ' ' A' ' 72' ' ' ILE . 97.1 t -131.45 133.78 61.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.234 -0.439 . . . . 1.35 110.208 -178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -126.38 119.03 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.849 -0.426 . . . . 3.87 109.849 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 61.2 mt -103.13 133.57 46.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.084 -0.507 . . . . 0.76 111.279 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -125.79 128.5 47.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.192 -0.458 . . . . 3.34 110.305 174.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 97.5 mttt -88.08 99.3 12.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.277 -0.42 . . . . 1.91 110.013 176.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.1 m -132.69 143.93 38.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.001 0.429 . . . . 0.55 112.035 -174.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 93.7 m -128.21 94.2 3.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.837 -0.801 . . . . 1.64 108.837 167.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.7 t 177.81 126.71 0.19 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.412 -0.813 . . . . 1.36 109.331 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.74 -31.79 57.84 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 122.168 1.912 . . . . 0.69 111.252 177.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -72.16 -47.1 53.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.674 -0.694 . . . . 2.37 111.07 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.11 -41.67 97.11 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.739 -0.21 . . . . 2.12 110.499 178.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.46 -50.13 72.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.276 -0.42 . . . . 0.41 110.716 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' SD ' ' A' ' 41' ' ' MET . 59.7 mtpt -57.15 -35.68 69.81 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.915 -0.584 . . . . 1.51 111.335 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.467 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 67.3 ttt180 -70.44 -57.63 4.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.478 -0.328 . . . . 2.96 110.833 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -55.7 -42.12 74.77 Favored 'General case' 0 N--CA 1.463 0.19 0 O-C-N 123.19 0.307 . . . . 1.29 111.042 -177.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 77.8 mt -59.37 -51.56 71.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.312 -0.404 . . . . 0.55 110.913 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt -70.62 -30.46 67.11 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.501 0.556 . . . . 3.13 112.501 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 76.2 mt-10 -71.66 -22.82 61.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.012 0.434 . . . . 2.14 110.614 178.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -90.53 -17.58 26.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.14 -0.482 . . . . 1.57 110.747 174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.514 ' OG ' HD11 ' A' ' 47' ' ' LEU . 20.0 m -72.76 -18.56 61.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.492 -177.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -93.72 29.98 1.91 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.737 0.303 . . . . 2.77 111.451 -171.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.512 -0.756 . . . . 4.0 110.251 175.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.428 ' HA3' HG22 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.401 -0.68 . . . . 1.16 111.401 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.531 ' HB3' HD22 ' A' ' 47' ' ' LEU . 3.3 tm? -141.04 127.08 19.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.145 0.498 . . . . 1.91 111.048 -173.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.6 HD21 HD13 ' A' ' 50' ' ' LEU . 9.4 tt -122.03 142.59 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.2 -1.037 . . . . 1.24 108.2 173.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.622 HG13 ' HA ' ' A' ' 49' ' ' LEU . 2.1 p -127.15 119.43 52.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.359 0.599 . . . . 0.95 112.045 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 HD23 ' HB2' ' A' ' 50' ' ' LEU . 55.3 mt -94.84 114.73 26.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.611 -0.885 . . . . 1.17 108.611 175.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.3 tt -127.53 114.84 37.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.178 0.513 . . . . 1.0 110.857 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 16.4 t90 -117.29 98.71 6.57 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.456 0.646 . . . . 2.26 109.726 178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.8 m -141.89 146.45 35.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.331 -0.85 . . . . 1.29 109.024 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.63 71.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 119.925 -0.71 . . . . 2.33 109.602 174.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 26.0 t70 -117.2 165.39 13.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.192 -0.913 . . . . 1.45 108.913 173.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 5.2 mmpt? -81.58 -66.74 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.335 -0.546 . . . . 3.05 111.212 175.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.8 mmtm -77.87 -27.88 49.86 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.698 0.629 . . . . 3.16 112.698 -171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.5 tp -56.83 -42.67 80.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.883 0.373 . . . . 1.59 110.491 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.68 -44.13 93.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.935 -0.575 . . . . 1.01 110.468 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -67.38 -36.07 80.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 2.62 111.222 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.73 -43.28 66.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.369 -0.378 . . . . 1.61 111.103 179.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.82 -41.94 95.36 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.05 0.452 . . . . 0.5 110.237 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -58.47 -53.79 54.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.458 -0.792 . . . . 3.48 111.462 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -64.36 -39.87 94.73 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.68 -0.236 . . . . 2.95 111.572 -176.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 47.8 tpp -69.73 -41.72 74.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.029 0.442 . . . . 1.55 110.293 -177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -67.18 -39.25 86.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.806 -0.634 . . . . 0.59 110.816 179.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.64 -41.53 99.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.887 0.375 . . . . 2.38 110.575 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -68.18 -30.95 70.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 2.2 111.024 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.46 9.3 37.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.151 -0.477 . . . . 0.82 111.382 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 59.65 41.21 19.01 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.855 -0.611 . . . . 2.13 111.625 176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 119' ' ' SER . 71.8 mt -107.92 162.9 13.59 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.987 -0.551 . . . . 1.18 110.757 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -120.86 112.34 18.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.439 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.622 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.1 pt? -98.09 143.15 28.94 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.077 0.465 . . . . 1.76 110.108 176.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.6 HD13 HD21 ' A' ' 24' ' ' LEU . 6.4 mp -127.58 135.41 50.26 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.292 -0.867 . . . . 1.48 110.744 -176.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.4 m -130.89 101.87 5.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.214 -0.661 . . . . 2.07 109.214 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -158.15 152.58 24.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.449 -0.341 . . . . 3.43 110.766 -171.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -95.51 -22.82 17.41 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.353 -0.385 . . . . 2.97 110.565 170.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.49 ' O ' HD23 ' A' ' 52' ' ' LEU . 4.7 t -99.94 109.98 22.33 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.772 0.796 . . . . 3.3 111.113 -178.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.594 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.2 m-20 -62.48 -52.16 64.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.773 -1.103 . . . . 3.66 112.039 -171.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 5.6 m-20 -53.2 -48.33 68.17 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.231 -0.895 . . . . 2.98 112.427 -172.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -59.09 -67.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.243 -0.435 . . . . 4.03 111.993 -173.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -85.13 -46.96 10.62 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.642 -0.423 . . . . 2.99 111.605 -170.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.594 HD12 ' HA ' ' A' ' 55' ' ' ASP . 87.9 mt -65.17 -52.18 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.458 -0.337 . . . . 1.33 111.367 -173.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.1 tt0 -68.43 -31.45 70.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.403 -0.362 . . . . 2.01 110.903 -175.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -60.07 -54.71 42.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 2.27 110.967 176.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -70.04 -43.91 78.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.365 -0.38 . . . . 0.93 111.301 -177.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD12 HG22 ' A' ' 59' ' ' ILE . 38.8 mt -64.63 -13.93 55.77 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.988 0.366 . . . . 1.89 111.988 176.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.9 ttpm? -68.6 -38.56 80.71 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.519 -0.548 . . . . 3.41 109.519 172.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -82.67 -35.24 27.04 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.671 -0.695 . . . . 1.65 109.964 176.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.523 ' HB3' HG21 ' A' ' 70' ' ' VAL . 8.7 mp -93.33 35.8 1.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.994 -0.548 . . . . 1.72 110.156 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -55.12 -51.85 51.17 Favored Glycine 0 CA--C 1.525 0.666 0 CA-C-N 115.359 -0.837 . . . . 1.28 114.132 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 70' ' ' VAL . 65.6 Cg_exo -40.32 163.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 123.831 3.021 . . . . 1.56 113.71 172.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -48.69 106.76 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.92 2.413 . . . . 1.89 111.903 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 66' ' ' LEU . 25.2 t -129.95 138.57 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 1.08 110.868 -174.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.427 ' O ' HD22 ' A' ' 23' ' ' LEU . 63.5 mttm -85.9 133.74 33.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.743 -0.662 . . . . 2.53 109.693 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mt -110.01 105.98 19.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.36 0.6 . . . . 1.0 110.921 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.511 HD13 ' CE1' ' A' ' 118' ' ' PHE . 14.8 tp -89.04 128.01 35.71 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.318 -0.856 . . . . 1.22 109.405 176.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 61.4 t -119.34 117.86 55.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.912 0.387 . . . . 1.3 111.035 -178.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.1 mp -105.39 122.17 45.43 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.084 -0.507 . . . . 1.67 109.713 176.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.538 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 85.7 mt -123.27 139.7 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.216 0.531 . . . . 1.76 110.929 -178.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -95.28 148.1 22.78 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 108.477 -0.934 . . . . 1.74 108.477 175.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -92.67 86.26 5.51 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.088 -0.645 . . . . 1.85 111.351 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 44.1 p -113.33 -169.84 1.57 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.08 -0.509 . . . . 1.2 110.257 171.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -70.24 -52.01 26.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.82 0.343 . . . . 3.57 111.212 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -81.23 -24.54 37.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 2.24 110.995 -173.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' HA ' HG23 ' A' ' 85' ' ' VAL . . . -59.54 -24.74 63.93 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.248 0.462 . . . . 0.97 112.248 -177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -69.07 -32.39 71.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.615 0.721 . . . . 2.33 109.238 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.01 -38.85 66.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 114.918 -1.037 . . . . 3.21 110.073 177.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.435 HG23 ' HA ' ' A' ' 82' ' ' ALA . 3.7 t -62.62 -37.49 79.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 N-CA-C 109.448 -0.575 . . . . 1.35 109.448 176.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -61.25 -58.25 9.06 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.968 -0.382 . . . . 2.3 109.968 176.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -55.62 -46.32 77.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.118 -0.492 . . . . 3.93 111.806 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.64 -53.54 27.08 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.062 -0.255 . . . . 2.58 111.051 -177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.2 mm -62.74 -40.48 88.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.614 0.245 . . . . 1.17 111.003 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.5 -45.96 74.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.287 -0.415 . . . . 2.08 110.531 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -66.32 -43.54 85.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 3.12 110.954 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.428 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 9.6 mtmp? -71.15 -38.71 72.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.4 -0.363 . . . . 2.41 111.539 -177.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.32 -47.59 76.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.94 0.4 . . . . 1.01 110.611 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -64.15 -34.66 78.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.925 0.393 . . . . 3.67 110.391 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -69.65 -13.39 62.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 3.34 110.49 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -116.22 18.67 15.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.604 0.716 . . . . 2.17 109.113 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 58.96 47.15 12.62 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 114.878 -1.056 . . . . 2.33 111.525 176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 93.3 mt -116.94 111.74 40.68 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 116.299 -0.409 . . . . 2.08 110.181 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -69.08 118.47 5.7 Favored 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.373 2.049 . . . . 1.25 111.291 175.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -120.68 117.63 53.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.152 0.501 . . . . 1.35 111.279 -177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.606 ' NE ' ' HA ' ' A' ' 101' ' ' ARG . 0.1 OUTLIER -92.54 99.85 12.49 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.335 -0.617 . . . . 3.87 109.335 178.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.401 HG12 ' HB ' ' A' ' 74' ' ' VAL . 59.9 mt -92.53 125.65 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.966 -0.561 . . . . 0.76 111.956 -172.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -129.29 111.67 13.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.373 -0.83 . . . . 3.34 109.359 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.538 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 82.6 mttt -77.7 116.2 18.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.643 0.259 . . . . 1.91 110.553 178.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.1 m -146.23 147.05 18.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.262 0.553 . . . . 0.55 111.504 -176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.6 m -141.4 93.13 2.54 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.352 -0.981 . . . . 1.64 108.352 162.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.8 m -179.36 118.46 0.23 Allowed Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 114.459 -1.246 . . . . 1.36 108.098 -173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -58.34 -46.7 23.17 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.301 2.667 . . . . 0.69 113.606 -173.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.4 -47.22 80.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.882 0.373 . . . . 2.37 110.741 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -58.6 -35.61 72.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.627 -0.715 . . . . 2.12 111.422 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.453 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -74.92 -45.73 40.54 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.278 0.561 . . . . 0.41 109.85 -175.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt -63.71 -29.21 70.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.2 -0.909 . . . . 1.51 110.624 178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 113' ' ' ARG . 35.6 ttm180 -65.82 -49.21 69.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.789 -0.642 . . . . 2.96 110.629 177.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -63.54 -33.4 75.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.087 0.47 . . . . 1.29 110.457 177.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.503 HG23 HD12 ' A' ' 47' ' ' LEU . 56.8 mt -65.74 -36.82 78.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.023 -0.535 . . . . 0.55 110.93 178.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.445 ' HA ' ' HG ' ' A' ' 119' ' ' SER . 27.8 mtpp -78.05 -29.28 49.23 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.253 0.549 . . . . 3.13 110.171 179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -65.07 -39.23 92.94 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.337 -0.847 . . . . 2.14 110.498 177.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.511 ' CE1' HD13 ' A' ' 73' ' ' LEU . 29.3 m-85 -90.11 -25.89 20.49 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.637 0.606 . . . . 1.57 112.637 -176.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.57 ' HB3' HD11 ' A' ' 47' ' ' LEU . 4.1 p -67.11 -33.78 76.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.488 0.661 . . . . 1.2 109.644 174.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -98.31 56.6 1.18 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.383 -0.826 . . . . 2.77 109.434 173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.216 -0.897 . . . . 4.0 111.397 -179.571 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.818 0 N-CA-C 111.751 -0.54 . . . . 1.16 111.751 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.482 HD12 ' O ' ' A' ' 71' ' ' LYS . 24.0 tp -133.23 135.79 45.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.029 0.443 . . . . 1.91 111.222 -178.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 33.2 tp -115.61 149.25 38.58 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.409 -0.96 . . . . 1.24 108.409 171.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.638 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 96.7 t -122.01 128.96 75.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.095 0.474 . . . . 0.95 111.37 -176.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 75.2 mt -120.27 129.38 54.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.81 -0.811 . . . . 1.17 108.81 175.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 16.8 tt -135.65 143.85 35.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 120.942 0.401 . . . . 1.0 111.108 -174.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -139.12 99.12 3.68 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.5 0.667 . . . . 2.26 109.432 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.0 t -142.16 164.56 29.83 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.069 -0.969 . . . . 1.29 109.212 -178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.582 HD22 ' H ' ' A' ' 30' ' ' ASN . 0.1 OUTLIER -136.13 68.36 1.44 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.515 1.15 . . . . 2.33 109.382 167.191 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -117.36 142.76 46.71 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.149 -1.387 . . . . 1.45 108.875 172.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -40.88 77.1 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.451 -0.499 . . . . 3.05 110.577 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 35.4 mmtp -82.65 -47.04 12.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.23 -0.441 . . . . 3.16 110.838 -174.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.28 -47.84 77.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.1 -0.5 . . . . 1.59 110.56 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.74 -41.61 89.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.753 -0.203 . . . . 1.01 111.047 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.71 -51.84 60.27 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.098 0.475 . . . . 2.62 110.834 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 29.2 mm-40 -60.59 -44.44 96.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.447 -0.797 . . . . 1.61 111.487 -176.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.94 -40.16 95.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.574 -0.285 . . . . 0.5 111.272 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 ttp-105 -64.02 -50.43 68.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.308 -0.406 . . . . 3.48 111.106 -177.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -70.75 -27.89 64.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.378 . . . . 2.95 111.146 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.5 tpt -75.93 -38.98 57.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.004 0.431 . . . . 1.55 110.218 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.99 -46.31 89.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.928 -0.578 . . . . 0.59 110.599 176.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -63.08 -32.36 73.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.259 -0.428 . . . . 2.38 110.532 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.27 -44.62 92.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.898 -0.592 . . . . 2.2 111.821 -178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.2 15.11 29.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.029 0.443 . . . . 0.82 111.449 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 71.2 52.3 0.26 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.449 -0.796 . . . . 2.13 111.49 173.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 HD21 ' CB ' ' A' ' 119' ' ' SER . 3.2 mm? -109.44 161.45 15.3 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.661 -0.7 . . . . 1.18 110.764 177.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 m-85 -121.42 114.92 21.97 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.379 -0.971 . . . . 1.61 108.379 172.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.6 pt? -105.12 122.17 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.714 0.769 . . . . 1.76 110.941 -179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.428 HD11 HD12 ' A' ' 62' ' ' ILE . 81.5 mt -109.05 144.69 36.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 114.898 -1.046 . . . . 1.48 110.035 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 6.3 m -88.92 149.99 23.06 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.126 -1.064 . . . . 2.07 108.126 173.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 83.8 mt -91.88 105.26 17.57 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.255 -0.578 . . . . 3.43 110.588 -173.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -151.69 -58.61 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.727 -1.124 . . . . 2.97 108.154 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 18.6 p -109.58 109.44 20.21 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.659 -0.7 . . . . 3.3 109.413 171.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -90.48 -55.73 3.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.812 -0.631 . . . . 3.66 112.122 -170.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -62.68 -53.8 48.98 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.729 -0.669 . . . . 2.98 112.198 -164.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -72.99 -34.81 66.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.861 0.362 . . . . 4.03 111.723 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HG2' HD13 ' A' ' 50' ' ' LEU . 3.2 ttmp? -82.0 -50.44 9.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.446 -0.343 . . . . 2.99 111.806 -172.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.79 -44.07 82.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.406 -0.361 . . . . 1.33 111.764 -174.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.57 -38.75 91.33 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 121.057 -0.257 . . . . 2.01 111.404 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -56.66 -41.2 76.83 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.266 0.354 . . . . 2.27 111.052 -176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.428 HD12 HD11 ' A' ' 50' ' ' LEU . 25.9 mt -77.01 -47.86 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.291 -0.413 . . . . 0.93 111.271 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.553 HD11 HD11 ' A' ' 72' ' ' ILE . 89.0 mt -58.07 -41.31 83.13 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.925 0.393 . . . . 1.89 111.076 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -69.15 -21.16 64.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.56 . . . . 3.41 110.626 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 69.3 m -80.32 -32.97 37.87 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.409 -0.36 . . . . 1.65 111.121 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.15 -41.96 80.82 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 121.206 -0.197 . . . . 1.72 111.194 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 103.34 -98.06 1.57 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.901 -0.666 . . . . 1.28 112.725 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -50.27 150.73 10.48 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 123.426 2.751 . . . . 1.56 112.638 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -49.31 107.37 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.234 2.623 . . . . 1.89 112.53 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.0 t -91.5 137.34 22.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.613 -0.721 . . . . 1.08 110.905 -176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' O ' HD12 ' A' ' 23' ' ' LEU . 92.6 mttt -86.6 135.47 33.41 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.026 -0.731 . . . . 2.53 109.026 176.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.553 HD11 HD11 ' A' ' 63' ' ' LEU . 38.4 mt -107.67 125.36 64.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.131 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -103.42 126.81 50.79 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.007 -0.738 . . . . 1.22 109.007 172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 42.4 t -110.46 133.67 55.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 116.061 -0.518 . . . . 1.3 109.917 -175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -119.24 109.45 15.85 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.568 -0.531 . . . . 1.67 109.568 -178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.93 124.45 52.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.161 -0.472 . . . . 1.76 110.672 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -74.24 137.06 42.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.08 -0.509 . . . . 1.74 109.647 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -66.08 87.18 0.1 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.202 0.525 . . . . 1.85 111.687 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.4 p -113.04 -169.86 1.56 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.714 -0.675 . . . . 1.2 109.559 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -85.44 -29.7 24.13 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.037 0.446 . . . . 3.57 110.132 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.47 ' O ' HG23 ' A' ' 85' ' ' VAL . 73.8 m-20 -91.3 -25.92 19.21 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.418 0.525 . . . . 2.24 112.418 -176.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.39 -28.55 68.31 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.92 0.39 . . . . 0.97 111.393 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -74.97 -27.0 59.99 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.407 -0.59 . . . . 2.33 109.407 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 mttp -70.55 -46.29 63.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 3.21 109.606 174.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 81' ' ' ASP . 4.8 t -61.71 -34.4 62.01 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.064 0 CA-C-N 115.473 -0.785 . . . . 1.35 109.944 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.429 ' HG2' HG21 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -54.55 -47.89 72.67 Favored 'General case' 0 C--N 1.334 -0.092 0 N-CA-C 109.509 -0.552 . . . . 2.3 109.509 177.538 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -68.92 -41.94 77.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.417 -0.81 . . . . 3.93 110.768 -177.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -65.58 -43.96 88.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.388 -0.369 . . . . 2.58 110.846 -178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.414 ' O ' ' HG3' ' A' ' 92' ' ' LYS . 47.3 mm -65.75 -41.55 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.291 -0.413 . . . . 1.17 110.46 177.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 20.1 tt0 -60.57 -51.0 71.29 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.751 -0.659 . . . . 2.08 110.591 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.45 -41.71 90.29 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.962 -0.563 . . . . 3.12 111.578 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -78.13 -26.3 47.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.557 -0.292 . . . . 2.41 110.889 -176.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -75.27 -36.07 61.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.853 0.358 . . . . 1.01 110.517 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 83.8 mtp180 -65.72 -35.87 81.99 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.886 -0.597 . . . . 3.67 110.48 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -80.34 -4.4 53.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.115 -0.493 . . . . 3.34 111.205 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 tttp -116.63 1.08 12.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.208 -0.451 . . . . 2.17 110.865 -176.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 52.79 36.14 20.56 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.786 -0.643 . . . . 2.33 111.238 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.8 tp -106.91 110.75 63.78 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.907 -0.588 . . . . 2.08 110.307 -175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.87 119.13 6.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.751 2.3 . . . . 1.25 112.484 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 18.6 m -127.92 133.49 67.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.995 -0.548 . . . . 1.35 110.689 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 6.6 tpm_? -108.1 99.31 8.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.048 -0.723 . . . . 3.87 109.048 176.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.429 HG21 ' HG2' ' A' ' 86' ' ' LYS . 63.9 mt -86.73 132.68 31.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.054 -0.521 . . . . 0.76 111.058 -176.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -130.79 124.36 31.17 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.486 -0.779 . . . . 3.34 110.32 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -86.49 104.88 16.37 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.415 -0.587 . . . . 1.91 109.415 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.8 m -136.51 144.92 31.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.089 -0.505 . . . . 0.55 111.009 -175.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 107' ' ' SER . 1.8 t -146.86 93.19 2.24 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.483 0.659 . . . . 1.64 110.047 169.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.446 ' HB2' ' O ' ' A' ' 106' ' ' THR . 11.3 t 176.47 143.0 0.23 Allowed Pre-proline 0 C--O 1.234 0.286 0 CA-C-N 114.848 -1.069 . . . . 1.36 109.011 174.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.431 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 76.9 Cg_exo -50.41 -55.34 4.18 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.277 1.985 . . . . 0.69 112.268 176.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -59.8 -39.14 83.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.093 -0.503 . . . . 2.37 111.629 -177.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -67.83 -48.12 67.11 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 121.302 -0.159 . . . . 2.12 111.226 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.76 -52.25 65.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.41 110.227 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.441 ' HE3' ' HB3' ' A' ' 37' ' ' GLU . 94.9 mttt -60.59 -40.1 90.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.926 -0.579 . . . . 1.51 111.115 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -55.47 -63.17 1.25 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 2.96 111.337 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 93.3 m95 -63.91 -35.62 81.26 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.072 -0.513 . . . . 1.29 111.08 -174.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.1 mt -64.61 -44.71 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.37 -0.377 . . . . 0.55 110.902 179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.4 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -77.3 -35.61 54.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.348 0.594 . . . . 3.13 109.405 -175.117 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -60.39 -50.38 73.85 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.33 -0.85 . . . . 2.14 110.694 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -78.52 -17.48 56.15 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.437 0.532 . . . . 1.57 112.437 -175.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.478 ' CB ' HD21 ' A' ' 47' ' ' LEU . 33.2 p -90.5 -15.73 30.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.93 0.395 . . . . 1.2 110.711 179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -82.24 -20.2 38.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 2.77 110.102 178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.287 -0.863 . . . . 4.0 109.897 175.696 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.475 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.089 -0.404 . . . . 1.16 112.089 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 97.8 mt -130.89 122.94 27.9 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.843 0.354 . . . . 1.91 111.474 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD22 HD21 ' A' ' 63' ' ' LEU . 47.9 tp -112.7 120.3 41.06 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.985 -0.746 . . . . 1.24 108.985 172.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.693 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 47.9 t -106.56 103.27 15.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.214 0.53 . . . . 0.95 110.599 -176.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 64.7 mt -97.98 142.14 30.08 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.348 -0.612 . . . . 1.17 109.348 177.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 tt -145.72 140.27 21.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.228 0.537 . . . . 1.0 111.379 -176.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 69.5 t90 -141.15 95.31 2.82 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 109.003 -0.74 . . . . 2.26 109.003 172.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.7 m -145.61 114.91 7.1 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.429 -0.952 . . . . 1.29 108.429 174.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -83.66 70.7 10.35 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 118.686 -1.205 . . . . 2.33 109.752 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 16.9 t70 -118.91 139.95 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.597 -1.183 . . . . 1.45 108.129 168.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.3 mmpt? -75.81 -31.89 59.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.681 -0.408 . . . . 3.05 111.465 -175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.534 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 4.4 mmmp? -90.47 -39.66 12.48 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 121.032 -0.267 . . . . 3.16 111.099 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 4.9 tt -53.1 -49.74 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.283 0.365 . . . . 1.59 110.054 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 73.4 mt -63.83 -44.44 98.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 1.01 110.962 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 31.7 mm-40 -61.48 -36.02 79.28 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 111.941 0.348 . . . . 2.62 111.941 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 50.2 mm-40 -78.56 -37.12 43.46 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.326 . . . . 1.61 110.862 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.04 -41.5 81.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.5 111.301 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 15.5 ptm180 -63.32 -27.51 69.38 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.416 -0.357 . . . . 3.48 110.608 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 45.9 mmtm -60.99 -50.45 73.32 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.411 -0.358 . . . . 2.95 110.699 176.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 20.3 mmt -70.5 -38.1 74.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.404 -0.362 . . . . 1.55 111.053 -178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.61 -46.56 87.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.349 -0.387 . . . . 0.59 110.862 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.87 -36.99 75.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 2.38 110.003 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -59.99 -48.33 82.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.639 -0.709 . . . . 2.2 110.947 179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.6 -2.72 58.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.115 -0.493 . . . . 0.82 111.441 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.8 t30 65.66 41.22 4.09 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.579 -0.737 . . . . 2.13 110.726 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.1 mt -100.16 150.84 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.623 -0.717 . . . . 1.18 109.612 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -87.31 114.51 23.98 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.042 0.448 . . . . 1.61 110.517 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.7 tt -110.97 132.64 54.03 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.532 -0.758 . . . . 1.76 109.859 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.527 ' HB3' ' HE2' ' A' ' 58' ' ' LYS . 87.1 mt -133.75 142.69 48.04 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.082 -0.508 . . . . 1.48 111.346 -175.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.5 m -88.65 150.48 23.0 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.832 -0.622 . . . . 2.07 109.469 174.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.12 106.92 18.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.306 0.574 . . . . 3.43 111.403 -173.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -156.78 -57.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.568 -1.271 . . . . 2.97 107.568 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 p -100.99 110.69 22.75 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.862 -1.063 . . . . 3.3 109.433 169.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.528 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 10.3 m-20 -89.41 -71.47 0.6 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.183 0.516 . . . . 3.66 110.952 -173.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -69.51 -25.39 64.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.997 -0.547 . . . . 2.98 111.706 -170.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.2 -70.51 0.22 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.406 -0.361 . . . . 4.03 111.319 -178.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.527 ' HE2' ' HB3' ' A' ' 50' ' ' LEU . 24.9 pttm -88.18 -24.5 23.3 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.509 0.559 . . . . 2.99 112.509 -170.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.528 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 82.9 mt -72.47 -43.56 63.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 C-N-CA 120.81 -0.356 . . . . 1.33 110.763 -179.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -65.91 -44.39 85.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.378 -0.374 . . . . 2.01 110.869 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.72 -48.17 75.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 2.27 111.514 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.435 HD12 HD11 ' A' ' 50' ' ' LEU . 62.1 mt -66.99 -45.73 86.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.402 -0.363 . . . . 0.93 111.265 -178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.447 HD21 HD22 ' A' ' 24' ' ' LEU . 84.9 mt -59.94 -41.13 91.16 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.606 0.241 . . . . 1.89 111.577 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -71.54 -27.56 63.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 3.41 110.962 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.3 m -80.65 -19.27 45.67 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.927 0.394 . . . . 1.65 110.93 178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.438 HD13 HG21 ' A' ' 70' ' ' VAL . 28.3 mt -76.08 -40.17 53.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.087 -0.506 . . . . 1.72 111.359 179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.92 -100.51 1.68 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.6 -0.81 . . . . 1.28 112.918 175.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -51.06 154.45 7.46 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 123.468 2.779 . . . . 1.56 112.785 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.12 103.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.22 2.614 . . . . 1.89 112.301 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.475 HG13 ' C ' ' A' ' 22' ' ' GLY . 65.9 t -83.55 138.18 19.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.456 -0.793 . . . . 1.08 111.389 -175.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -84.32 130.59 34.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 2.53 109.972 177.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.59 109.88 28.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.123 -174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 13.7 tp -98.31 129.5 45.0 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.663 -0.699 . . . . 1.22 109.762 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.454 HG22 ' HB2' ' A' ' 26' ' ' LEU . 52.9 t -118.38 121.6 67.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 120.762 0.315 . . . . 1.3 110.545 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 86.3 mt -100.15 107.53 19.43 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.972 -0.751 . . . . 1.67 108.972 175.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 19.5 tp -119.05 126.08 50.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.18 -0.464 . . . . 1.76 111.091 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 33.7 tt0 -83.16 126.26 32.43 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.308 -0.627 . . . . 1.74 109.308 175.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -66.88 89.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.476 0.655 . . . . 1.85 110.933 -177.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.453 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 3.5 m -110.88 164.25 12.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.957 -1.019 . . . . 1.2 109.322 178.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -61.14 -45.03 96.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.098 0.475 . . . . 3.57 109.773 175.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.454 ' O ' HG23 ' A' ' 85' ' ' VAL . 4.5 m-20 -62.36 -26.1 68.27 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.75 -0.659 . . . . 2.24 110.93 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.453 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -72.51 -11.43 60.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.979 -0.555 . . . . 0.97 111.801 -175.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -72.64 -37.68 67.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.506 -0.553 . . . . 2.33 109.506 -175.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 22.3 ptmt -80.03 -38.09 32.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-N 115.722 -0.672 . . . . 3.21 110.713 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 81' ' ' ASP . 3.3 t -70.97 -35.41 59.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 110.319 -0.252 . . . . 1.35 110.319 -178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -63.26 -34.26 77.29 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.973 0.416 . . . . 2.3 110.372 178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -75.85 -37.62 58.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.004 -0.544 . . . . 3.93 110.723 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 21.4 mm-40 -64.43 -53.04 54.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 2.58 110.73 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 48.7 mm -61.2 -35.11 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.9 -0.591 . . . . 1.17 110.794 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -72.63 -43.67 62.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.101 -0.5 . . . . 2.08 110.345 -177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.4 mmtp -69.8 -48.73 58.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.433 -0.349 . . . . 3.12 111.078 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.72 -38.31 84.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.649 -0.251 . . . . 2.41 111.297 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.47 -43.98 95.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.925 0.393 . . . . 1.01 110.869 179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -71.32 -38.2 71.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.236 -0.438 . . . . 3.67 110.474 -178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -74.77 -6.07 46.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.197 -0.456 . . . . 3.34 111.031 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -118.41 13.13 13.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.625 0.726 . . . . 2.17 109.416 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 53.66 44.16 30.12 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 114.852 -1.067 . . . . 2.33 112.367 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 89.9 mt -123.17 116.51 28.55 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 2.08 109.88 177.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -68.17 129.92 20.32 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 121.99 1.793 . . . . 1.25 111.74 177.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.5 p -123.63 142.55 39.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.953 0.406 . . . . 1.35 111.082 -175.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -114.21 99.78 7.87 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 3.87 110.127 177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.61 123.26 52.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.234 0.54 . . . . 0.76 110.903 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -115.49 116.73 28.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.621 -0.718 . . . . 3.34 110.247 179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -75.8 106.34 7.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.039 -0.528 . . . . 1.91 109.769 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.2 m -138.76 139.19 41.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 120.969 0.414 . . . . 0.55 111.34 -177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.483 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 5.3 t -133.11 92.18 2.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.178 0.99 . . . . 1.64 108.899 168.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.0 t 176.07 123.34 0.15 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 114.398 -1.274 . . . . 1.36 109.159 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -58.75 -32.36 96.87 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.251 1.967 . . . . 0.69 111.695 174.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.08 -46.73 70.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.914 -0.584 . . . . 2.37 110.806 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.51 -38.04 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 2.12 110.972 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.81 -45.31 94.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.365 -0.379 . . . . 0.41 110.108 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.432 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.8 mtpt -60.74 -35.97 77.72 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.229 -0.442 . . . . 1.51 110.887 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -63.08 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 2.96 111.597 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.404 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 97.0 m95 -58.23 -40.75 82.54 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.352 0.408 . . . . 1.29 112.026 -172.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 66.4 mt -62.81 -43.28 98.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.447 . . . . 0.55 110.344 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.564 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 5.6 tmtt? -76.74 -15.17 59.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.898 -0.592 . . . . 3.13 111.471 -178.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -75.49 -45.1 40.36 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.595 -0.442 . . . . 2.14 110.204 174.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.404 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 32.8 m-85 -69.88 -30.33 67.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.132 -0.486 . . . . 1.57 111.421 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 76.2 p -68.07 -26.83 66.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.773 0.32 . . . . 1.2 111.12 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 21.4 mm-40 -92.2 5.03 51.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.397 -0.365 . . . . 2.77 111.103 -177.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.537 -0.744 . . . . 4.0 109.522 175.241 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.899 -0.481 . . . . 1.16 111.899 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -132.65 117.09 17.46 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.635 -0.505 . . . . 1.91 109.635 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.9 tp -109.17 137.21 47.41 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.288 -0.634 . . . . 1.24 109.288 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 57.2 t -109.99 129.73 64.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.871 0.367 . . . . 0.95 111.196 -176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' HB2' HG22 ' A' ' 74' ' ' VAL . 54.0 mt -113.36 146.98 38.57 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.31 -0.996 . . . . 1.17 108.31 171.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.425 ' O ' ' HA ' ' A' ' 51' ' ' THR . 12.5 tt -149.2 137.95 15.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 C-N-CA 120.561 -0.456 . . . . 1.0 111.441 -177.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -132.51 97.37 4.07 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.72 -0.845 . . . . 2.26 108.72 169.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD11 ' A' ' 35' ' ' ILE . 15.0 m -143.85 165.72 26.93 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.573 -0.899 . . . . 1.29 108.573 174.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -139.22 69.18 1.37 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 122.314 1.054 . . . . 2.33 111.142 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.478 ' O ' HD13 ' A' ' 35' ' ' ILE . 35.1 t70 -116.96 156.56 27.23 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 113.926 -1.488 . . . . 1.45 108.851 166.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.555 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.34 -34.19 36.82 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.694 0.283 . . . . 3.05 111.448 -178.72 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 54.3 tptt -90.39 -33.15 16.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.415 -0.357 . . . . 3.16 110.818 -172.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 60.4 tp -69.59 -45.25 69.06 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.172 -0.467 . . . . 1.59 110.273 -174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 29' ' ' SER . 1.6 mp -69.63 -37.99 75.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.753 -0.658 . . . . 1.01 110.138 -178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.83 -54.5 41.35 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.957 -0.565 . . . . 2.62 110.566 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -67.14 -34.99 78.76 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.054 0.39 . . . . 1.61 112.054 -176.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.56 98.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.98 0.419 . . . . 0.5 110.199 177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HA ' HD21 ' A' ' 49' ' ' LEU . 61.0 ttt180 -72.75 -38.45 67.38 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.145 -0.479 . . . . 3.48 110.672 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mtpm? -59.19 -41.72 89.17 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.921 0.391 . . . . 2.95 110.901 177.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.3 tpt -69.02 -44.47 72.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.116 -179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.8 -38.48 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.039 -0.528 . . . . 0.59 110.596 177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -59.67 -46.31 89.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.858 -0.61 . . . . 2.38 110.86 179.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -71.69 -30.15 65.35 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.043 -0.526 . . . . 2.2 111.321 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.15 5.56 48.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.549 -0.296 . . . . 0.82 111.531 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 59.09 39.67 22.93 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.956 -0.565 . . . . 2.13 111.757 179.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.453 HD11 ' HB3' ' A' ' 119' ' ' SER . 84.5 mt -101.28 177.33 4.96 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.024 -0.534 . . . . 1.18 110.065 178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -129.27 139.22 51.88 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.135 -0.691 . . . . 1.61 109.135 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 39' ' ' ARG . 1.6 pp -127.95 142.83 51.14 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.438 0.637 . . . . 1.76 111.477 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 62' ' ' ILE . 82.9 mt -126.36 140.46 52.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.138 -0.937 . . . . 1.48 110.406 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 14.8 t -88.53 152.22 22.0 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 176.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.8 mt -89.86 107.99 19.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.767 0.794 . . . . 3.43 110.37 -173.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -154.35 -71.5 0.13 Allowed 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 107.33 -1.359 . . . . 2.97 107.33 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.8 p -110.67 104.01 12.64 Favored 'General case' 0 N--CA 1.448 -0.575 0 N-CA-C 108.2 -1.037 . . . . 3.3 108.2 164.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -93.66 -40.48 10.23 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.203 -0.453 . . . . 3.66 111.846 -173.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.92 -66.86 0.33 Allowed 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.083 0.401 . . . . 2.98 112.083 -173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -59.6 -43.19 93.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 4.03 111.289 -175.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -67.55 -44.13 79.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.136 -0.484 . . . . 2.99 111.082 -173.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 82.1 mt -71.89 -42.25 69.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.278 -0.419 . . . . 1.33 110.689 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.33 -35.49 71.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.794 0.33 . . . . 2.01 111.248 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -68.43 -56.65 7.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.892 0.377 . . . . 2.27 110.904 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' O ' HD22 ' A' ' 66' ' ' LEU . 58.5 mt -73.33 -59.61 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.232 -0.44 . . . . 0.93 111.909 -175.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 tt -53.65 -40.96 66.31 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.82 0.343 . . . . 1.89 111.313 -173.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -69.06 -32.87 72.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.336 -0.393 . . . . 3.41 111.369 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 62.8 p -74.96 -11.65 60.16 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 112.556 0.576 . . . . 1.65 112.556 -174.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.494 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.7 mm? -73.25 -43.46 61.12 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.743 -0.783 . . . . 1.72 110.848 177.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.38 -82.93 0.31 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.661 -0.781 . . . . 1.28 112.288 -178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.29 156.88 23.6 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.31 2.673 . . . . 1.56 112.392 177.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_endo -58.4 118.44 5.32 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.932 2.421 . . . . 1.89 111.983 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 84.8 t -102.32 135.98 36.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.698 -0.683 . . . . 1.08 110.569 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.47 143.02 27.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.123 -0.695 . . . . 2.53 109.123 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 60.2 mt -108.31 122.46 62.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.467 . . . . 1.0 111.655 -176.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.6 tp -102.97 125.22 49.63 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.522 -0.763 . . . . 1.22 109.391 173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 37.3 t -114.08 125.54 71.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.866 0.365 . . . . 1.3 110.739 -177.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.2 mp -99.06 112.27 24.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.195 -0.668 . . . . 1.67 109.195 177.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 26.7 tp -109.69 112.87 25.19 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.769 -0.65 . . . . 1.76 110.577 -176.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' HB2' ' OG ' ' A' ' 29' ' ' SER . 18.9 tt0 -71.31 151.31 44.31 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.547 -0.908 . . . . 1.74 108.547 174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -83.29 83.98 7.66 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 119.443 -0.903 . . . . 1.85 109.454 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.529 ' HB ' ' H ' ' A' ' 82' ' ' ALA . 2.7 m -113.83 151.61 31.85 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.985 -1.007 . . . . 1.2 109.621 177.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -60.08 -30.94 69.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.125 0.488 . . . . 3.57 110.382 175.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.494 ' O ' HG23 ' A' ' 85' ' ' VAL . 8.3 m-20 -84.66 -35.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.862 -0.608 . . . . 2.24 110.446 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.529 ' H ' ' HB ' ' A' ' 79' ' ' THR . . . -64.58 -31.23 72.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.931 -0.577 . . . . 0.97 111.611 -174.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -67.85 -31.9 72.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.735 0.778 . . . . 2.33 109.174 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -75.21 -33.56 61.4 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.743 -1.117 . . . . 3.21 110.388 178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.565 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.4 t -68.92 -39.6 80.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 109.716 -0.476 . . . . 1.35 109.716 177.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -60.51 -44.19 96.27 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 110.123 -0.325 . . . . 2.3 110.123 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.484 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 81.4 tttt -52.62 -43.95 65.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.527 -0.761 . . . . 3.93 111.028 -179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.18 -45.98 30.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.004 -0.544 . . . . 2.58 110.949 -178.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.3 mm -59.5 -45.91 93.39 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 CA-C-N 116.492 -0.322 . . . . 1.17 110.97 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.411 ' OE2' HD12 ' A' ' 102' ' ' ILE . 70.8 mm-40 -49.63 -47.05 50.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.147 0.499 . . . . 2.08 111.061 178.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 41.2 mmtm -73.26 -47.08 46.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.78 -0.645 . . . . 3.12 111.319 -176.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 89' ' ' ILE . 12.2 ptmm? -74.99 -27.62 60.22 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.611 -0.268 . . . . 2.41 111.495 -172.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.28 -39.59 89.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.802 0.334 . . . . 1.01 110.894 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 39.4 ptt180 -75.83 -24.15 55.8 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.428 -0.351 . . . . 3.67 110.531 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 30.4 mtpp -72.96 -20.47 61.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.996 0.427 . . . . 3.34 110.591 177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -104.81 3.01 30.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 122.069 0.938 . . . . 2.17 109.073 175.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 65.1 t30 53.04 50.35 18.09 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 114.338 -1.301 . . . . 2.33 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 51.8 mt -105.23 122.47 42.85 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.953 -0.567 . . . . 2.08 110.123 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -70.33 116.61 4.7 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 121.399 1.399 . . . . 1.25 111.141 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.4 m -132.64 136.18 56.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 1.35 110.488 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -117.01 102.07 9.03 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.857 -0.794 . . . . 3.87 108.857 175.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 43.9 mt -93.94 121.37 44.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.64 -0.709 . . . . 0.76 110.157 -176.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -126.33 138.59 53.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.933 0.397 . . . . 3.34 110.592 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.556 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.8 mttm -82.91 111.41 18.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.84 -0.618 . . . . 1.91 110.918 -178.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 35.4 m -140.21 141.62 33.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.106 -0.497 . . . . 0.55 110.739 179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 8.7 m -148.58 90.79 1.82 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.213 -0.662 . . . . 1.64 109.213 168.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.5 p 176.18 124.44 0.15 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.145 -0.934 . . . . 1.36 109.849 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -45.03 -55.16 3.61 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.921 2.414 . . . . 0.69 113.665 -175.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -58.26 -47.19 84.37 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.266 -0.424 . . . . 2.37 111.885 -174.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -59.99 -45.81 91.49 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.708 -0.224 . . . . 2.12 110.895 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.77 72.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.41 110.609 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -59.59 -32.25 70.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.871 -0.604 . . . . 1.51 110.888 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -75.98 -46.15 31.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.754 -0.657 . . . . 2.96 111.132 -176.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.471 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 42.1 m95 -59.32 -42.68 91.98 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.129 0.49 . . . . 1.29 110.255 177.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.33 -33.25 58.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.55 110.855 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -69.59 -46.7 65.71 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.907 -0.588 . . . . 3.13 111.393 -177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -80.14 -19.43 47.26 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.215 0.45 . . . . 2.14 112.215 -174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.471 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 15.5 m-85 -83.98 -20.9 32.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.785 0.326 . . . . 1.57 111.496 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.453 ' HB3' HD11 ' A' ' 47' ' ' LEU . 7.1 p -89.98 -9.82 47.28 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.091 -0.244 . . . . 1.2 111.633 -176.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -100.16 5.96 44.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.758 0.313 . . . . 2.77 111.324 -178.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 119.173 -0.442 . . . . 4.0 110.661 178.463 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.721 0 N-CA-C 111.864 -0.494 . . . . 1.16 111.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.514 ' HB2' HD22 ' A' ' 47' ' ' LEU . 90.7 mt -133.12 143.42 49.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.816 0.341 . . . . 1.91 110.999 -178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 HD13 ' A' ' 50' ' ' LEU . 24.6 tp -120.38 131.74 54.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.405 -0.591 . . . . 1.24 109.405 175.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 51.4 t -120.54 117.1 52.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.761 0.315 . . . . 0.95 110.44 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 50.4 mt -107.52 138.42 43.77 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.468 -0.567 . . . . 1.17 109.468 178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -142.47 134.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.933 0.397 . . . . 1.0 110.733 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.522 ' CD1' ' HB2' ' A' ' 52' ' ' LEU . 37.5 t90 -135.17 98.94 4.12 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.656 0.741 . . . . 2.26 110.346 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.9 m -144.48 170.61 15.7 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.935 -1.03 . . . . 1.29 108.403 173.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.6 t-20 -123.91 72.27 1.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.388 -0.967 . . . . 2.33 108.388 165.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.519 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 12.6 t70 -116.03 147.62 41.04 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.478 -1.237 . . . . 1.45 108.53 173.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -80.08 -45.69 17.81 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.296 -0.561 . . . . 3.05 110.907 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -90.88 -38.03 13.18 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.916 0.339 . . . . 3.16 111.916 -173.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.5 tt -61.55 -44.99 96.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.505 0.193 . . . . 1.59 110.786 -176.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.4 -42.43 93.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.763 0.316 . . . . 1.01 110.373 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.87 -53.81 44.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 2.62 110.806 -178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -64.61 -35.1 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.442 -0.345 . . . . 1.61 111.456 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.62 -41.81 78.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.722 0.296 . . . . 0.5 110.494 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 4.7 tpt180 -61.51 -53.43 56.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 3.48 110.548 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -56.44 -37.68 70.57 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.184 -0.462 . . . . 2.95 111.488 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 8.0 tpt -67.64 -44.65 77.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.988 -0.551 . . . . 1.55 110.209 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.97 -36.13 77.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.927 -0.579 . . . . 0.59 111.138 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 12.7 mm-40 -61.26 -40.21 93.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.291 -0.413 . . . . 2.38 110.71 177.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -69.22 -31.09 69.42 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 116.039 -0.528 . . . . 2.2 110.753 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.88 -0.71 57.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.112 -0.494 . . . . 0.82 111.143 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 17.4 m120 62.04 40.71 11.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.45 -0.795 . . . . 2.13 111.08 178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.514 HD22 ' HB2' ' A' ' 23' ' ' LEU . 42.3 mt -99.34 142.71 30.47 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.071 -0.513 . . . . 1.18 109.769 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -81.95 105.32 12.96 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.729 -0.471 . . . . 1.61 109.729 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 10.4 tt -104.21 130.02 51.98 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.977 -0.556 . . . . 1.76 110.471 -177.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 24' ' ' LEU . 10.5 mp -125.42 135.95 52.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.733 -0.667 . . . . 1.48 110.541 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 10.4 t -92.31 151.92 20.05 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.244 -1.021 . . . . 2.07 108.244 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HB2' ' CD1' ' A' ' 28' ' ' TRP . 75.5 mt -90.75 108.37 19.79 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.781 0.801 . . . . 3.43 110.952 -171.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -151.73 -52.59 0.12 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 107.417 -1.327 . . . . 2.97 107.417 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.426 ' HB ' ' HE2' ' A' ' 58' ' ' LYS . 0.9 OUTLIER -100.45 109.59 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.048 -0.978 . . . . 3.3 108.422 167.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -90.04 -70.98 0.64 Allowed 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.684 0.624 . . . . 3.66 112.684 -167.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.47 -39.77 94.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.844 -0.616 . . . . 2.98 111.911 -169.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 tptp -72.32 -69.16 0.42 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.426 0.528 . . . . 4.03 112.426 -172.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.426 ' HE2' ' HB ' ' A' ' 54' ' ' THR . 47.7 mtmt -64.91 -43.38 93.0 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.344 0.498 . . . . 2.99 112.344 -168.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.11 -45.27 99.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.819 0.343 . . . . 1.33 110.93 -177.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.2 tm-20 -73.8 -41.09 62.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.256 -0.429 . . . . 2.01 110.415 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.83 -50.36 73.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 2.27 111.596 -177.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.448 HD12 HD21 ' A' ' 50' ' ' LEU . 56.7 mt -65.6 -42.3 92.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.93 111.235 -176.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 50.1 mt -57.92 -34.47 69.9 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.184 0.439 . . . . 1.89 112.184 178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -72.6 -22.4 60.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.3 0.572 . . . . 3.41 110.246 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -83.05 -25.45 32.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.835 -0.621 . . . . 1.65 110.211 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.52 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 2.4 mm? -61.69 -41.57 97.75 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.531 -0.304 . . . . 1.72 111.033 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.48 -93.61 0.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.742 . . . . 1.28 112.755 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.52 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 26.7 Cg_endo -62.37 166.75 12.46 Favored 'Trans proline' 0 N--CA 1.473 0.278 0 C-N-CA 123.151 2.567 . . . . 1.56 112.369 178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.66 120.2 7.7 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.435 2.09 . . . . 1.89 110.811 172.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 46.9 t -101.42 146.96 8.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 120.896 0.379 . . . . 1.08 111.12 -172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -93.74 134.69 35.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 2.53 109.642 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.1 mm -109.44 112.97 42.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.583 -171.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 64.4 tp -100.64 131.38 46.58 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.903 -0.777 . . . . 1.22 108.903 173.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 3.1 m -134.78 137.03 51.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.377 -0.529 . . . . 1.3 110.536 -179.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 75' ' ' LEU . 2.9 mm? -123.15 128.21 49.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.87 -0.604 . . . . 1.67 110.181 -178.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.1 mt -124.47 131.54 53.49 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.754 -0.657 . . . . 1.76 109.473 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.69 ' HA ' ' O ' ' A' ' 105' ' ' VAL . 41.7 tt0 -68.45 137.38 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.022 -0.733 . . . . 1.74 109.022 176.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -74.87 83.61 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.768 0.794 . . . . 1.85 110.672 -178.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -116.26 -173.07 2.3 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.752 -1.113 . . . . 1.2 109.831 170.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -77.71 -54.69 6.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.172 0.51 . . . . 3.57 110.474 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -69.57 -23.3 63.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.84 -0.618 . . . . 2.24 111.443 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 85' ' ' VAL . . . -80.38 -12.42 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.089 0.403 . . . . 0.97 112.089 177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.419 ' O ' ' HB3' ' A' ' 86' ' ' LYS . 16.4 t70 -87.94 -32.45 18.89 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.268 -0.573 . . . . 2.33 109.85 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -73.68 -31.9 63.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.913 -0.585 . . . . 3.21 110.566 176.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.532 ' O ' HG12 ' A' ' 89' ' ' ILE . 9.6 p -68.55 -29.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.098 0 N-CA-C 109.769 -0.456 . . . . 1.35 109.769 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 83' ' ' ASP . 47.6 tttm -58.64 -36.81 74.7 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.031 -0.531 . . . . 2.3 110.468 174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -63.4 -43.03 98.7 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.333 0.587 . . . . 3.93 109.909 176.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.8 -39.92 79.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.339 -0.846 . . . . 2.58 111.001 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.2 mm -60.91 -36.09 69.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.392 -0.367 . . . . 1.17 110.411 177.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -62.61 -44.09 97.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.044 -0.525 . . . . 2.08 110.112 177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 95' ' ' LYS . 56.7 mtpt -62.33 -46.45 88.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.951 -0.568 . . . . 3.12 110.253 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.18 -46.88 88.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.622 -0.717 . . . . 2.41 111.082 178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.19 -43.42 92.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.958 -0.565 . . . . 1.01 111.511 -178.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.69 -39.39 91.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 3.67 111.054 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 91' ' ' LYS . 52.6 mtmt -66.27 -39.36 89.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 3.34 111.131 179.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -81.99 -5.75 58.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 2.17 111.127 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 58.87 35.58 24.28 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.758 -0.656 . . . . 2.33 110.454 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 36.6 tp -114.51 108.52 49.5 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.517 -0.765 . . . . 2.08 110.624 -172.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -59.28 126.89 22.14 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.102 1.868 . . . . 1.25 111.911 173.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 142.32 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.558 -0.292 . . . . 1.35 110.376 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -108.32 98.09 7.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.078 0.466 . . . . 3.87 110.137 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 16.5 mt -86.75 130.17 37.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.53 -0.759 . . . . 0.76 111.17 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' HG2' HG13 ' A' ' 105' ' ' VAL . 9.6 ttm180 -131.79 129.13 40.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.037 0.446 . . . . 3.34 110.337 174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -88.6 111.61 22.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.756 -0.656 . . . . 1.91 110.31 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.69 ' O ' ' HA ' ' A' ' 77' ' ' GLU . 26.9 m -138.99 145.55 27.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.726 0.298 . . . . 0.55 111.095 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.432 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 3.1 t -135.26 92.41 2.85 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.979 -0.749 . . . . 1.64 108.979 164.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.8 m 177.27 124.57 0.18 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 114.608 -1.178 . . . . 1.36 108.845 -175.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 26.9 Cg_endo -63.43 -42.01 23.68 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.583 2.189 . . . . 0.69 112.708 -178.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 112' ' ' LYS . 35.6 t70 -65.33 -43.03 92.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.747 0.308 . . . . 2.37 111.06 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -62.93 -33.09 74.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.666 -0.697 . . . . 2.12 111.199 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.58 -41.57 68.86 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.319 0.58 . . . . 0.41 109.857 -174.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 109' ' ' ASP . 9.9 mtmp? -61.79 -35.04 77.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.093 -0.958 . . . . 1.51 111.059 178.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 52.1 ttt180 -65.17 -48.69 72.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.357 -0.383 . . . . 2.96 111.083 -177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -64.62 -27.64 69.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.981 0.42 . . . . 1.29 110.924 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 78.3 mt -68.74 -44.37 82.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.976 -0.556 . . . . 0.55 109.84 173.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.474 ' HA ' ' OG ' ' A' ' 119' ' ' SER . 37.5 mmtt -65.21 -31.95 73.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.703 -0.68 . . . . 3.13 111.659 178.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 52.5 mm-40 -60.63 -34.73 74.7 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 2.14 110.855 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -91.15 -34.09 15.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.119 -0.491 . . . . 1.57 112.201 -178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' ' 116' ' ' LYS . 28.5 p -61.88 -53.58 53.81 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.912 0.387 . . . . 1.2 111.509 -173.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -100.08 -3.3 32.21 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.313 -0.403 . . . . 2.77 111.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.602 -0.713 . . . . 4.0 111.221 -178.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.739 0 N-CA-C 112.166 -0.374 . . . . 1.16 112.166 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 47' ' ' LEU . 13.3 tp -142.11 127.37 18.67 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.632 -0.507 . . . . 1.91 109.632 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 HD23 ' N ' ' A' ' 25' ' ' VAL . 10.3 tt -118.45 146.35 44.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.843 0.354 . . . . 1.24 110.779 -171.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.637 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 98.5 t -132.55 136.92 55.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.195 0.522 . . . . 0.95 111.402 -178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 67.8 mt -122.09 143.02 49.78 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.615 . . . . 1.17 109.434 177.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 9.6 tt -146.36 109.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 CA-C-O 121.233 0.54 . . . . 1.0 110.777 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 5.3 t90 -97.62 95.34 7.53 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 108.958 -0.756 . . . . 2.26 108.958 176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.9 p -147.16 158.43 43.94 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.391 -0.822 . . . . 1.29 109.683 171.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -119.66 71.29 0.88 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 107.639 -1.245 . . . . 2.33 107.639 160.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.546 ' HB3' ' HB2' ' A' ' 34' ' ' LEU . 17.5 t70 -116.57 157.17 25.72 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.342 -1.299 . . . . 1.45 110.037 -178.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.526 ' HE2' ' H ' ' A' ' 32' ' ' LYS . 2.1 mppt? -81.11 -43.45 19.42 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 116.292 -0.413 . . . . 3.05 111.097 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -90.96 -45.45 8.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.608 -0.269 . . . . 3.16 111.421 -172.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 31' ' ' ASP . 4.0 mm? -53.98 -50.33 66.8 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.182 0.301 . . . . 1.59 111.117 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG2' ' A' ' 39' ' ' ARG . 69.7 mt -68.65 -43.1 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.575 -0.284 . . . . 1.01 110.972 -177.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -60.25 -54.35 46.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.128 -0.487 . . . . 2.62 111.472 -176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -71.74 -24.05 61.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.55 -0.295 . . . . 1.61 111.559 -176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.28 -52.21 17.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.538 0.208 . . . . 0.5 111.144 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 35' ' ' ILE . 3.4 ptp180 -61.57 -36.81 81.7 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 111.829 0.307 . . . . 3.48 111.829 -175.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -74.75 -34.35 62.5 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.009 -0.276 . . . . 2.95 110.838 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.3 tpt -72.42 -37.4 68.65 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.483 -0.562 . . . . 1.55 109.483 178.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -62.45 -43.81 97.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.351 -0.841 . . . . 0.59 110.432 175.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.39 -31.71 71.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.853 -0.612 . . . . 2.38 110.474 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -70.61 -51.62 26.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.587 -0.733 . . . . 2.2 111.622 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.96 5.75 51.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.027 0.38 . . . . 0.82 112.027 -174.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 70.15 69.14 0.22 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.725 0.774 . . . . 2.13 110.876 176.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.472 HD11 HD23 ' A' ' 23' ' ' LEU . 3.9 mm? -113.19 142.59 45.61 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.157 -0.929 . . . . 1.18 110.024 177.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 91.1 m-85 -85.39 88.56 7.52 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.697 -0.853 . . . . 1.61 108.697 172.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.637 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.8 tt -99.8 125.94 45.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.104 0.478 . . . . 1.76 110.932 -174.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -117.24 128.81 55.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.625 -0.716 . . . . 1.48 110.793 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 m -107.02 102.62 11.96 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.39 -0.967 . . . . 2.07 108.39 170.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.479 HD22 ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -150.32 167.42 27.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 3.43 110.916 -168.07 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.36 -10.25 6.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 2.97 110.552 170.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' C ' HD23 ' A' ' 52' ' ' LEU . 41.2 p -101.41 108.82 20.53 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.052 -0.721 . . . . 3.3 109.052 169.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.0 p30 -80.68 -65.47 1.01 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 113.202 0.815 . . . . 3.66 113.202 -166.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 14.7 m-20 -53.81 -41.22 67.08 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.884 0.698 . . . . 2.98 112.884 -171.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -64.24 -55.47 21.3 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 120.842 -0.343 . . . . 4.03 111.726 -175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -82.39 -50.46 8.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.82 0.343 . . . . 2.99 111.684 -171.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.43 -49.33 83.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.009 -0.542 . . . . 1.33 111.466 -173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 42.2 tt0 -68.39 -33.22 73.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.121 -0.49 . . . . 2.01 110.947 -176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.93 -51.5 69.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.731 0.3 . . . . 2.27 110.93 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.473 HD12 HD21 ' A' ' 50' ' ' LEU . 38.0 mt -68.18 -37.24 77.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.429 -0.35 . . . . 0.93 111.25 -177.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 tt -77.69 -46.75 20.98 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.508 -0.314 . . . . 1.89 111.357 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.01 -32.93 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 3.41 110.652 -177.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.2 m -80.53 -6.66 58.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.231 -0.44 . . . . 1.65 111.573 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD23 ' CG2' ' A' ' 70' ' ' VAL . 51.9 tp -83.34 -42.08 17.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 120.158 -0.617 . . . . 1.72 110.508 177.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 134.02 -91.72 0.25 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.288 -0.958 . . . . 1.28 112.918 171.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -65.21 162.32 33.68 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.972 2.448 . . . . 1.56 111.885 -178.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.74 99.06 0.25 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.277 1.985 . . . . 1.89 110.843 174.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.439 ' CG2' HD23 ' A' ' 66' ' ' LEU . 49.5 t -75.29 144.66 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.26 -0.882 . . . . 1.08 111.389 -172.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -80.86 125.67 30.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.839 -0.618 . . . . 2.53 109.63 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 100' ' ' VAL . 47.1 mt -110.24 123.3 66.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.277 -178.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 tp -101.5 127.74 48.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.863 -0.791 . . . . 1.22 108.863 170.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' HG12 ' A' ' 102' ' ' ILE . 46.3 t -116.26 119.91 63.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.423 -0.353 . . . . 1.3 111.062 -174.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 6.6 mp -102.52 124.02 47.32 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.449 -0.575 . . . . 1.67 109.449 177.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 90.0 mt -123.85 126.66 46.8 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 121.006 -0.277 . . . . 1.76 110.903 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.5 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 7.7 tp10 -83.58 125.67 32.03 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 107.62 -1.252 . . . . 1.74 107.62 169.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -67.77 89.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.586 0.708 . . . . 1.85 111.363 -172.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.8 p -110.85 179.27 4.1 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.257 -0.883 . . . . 1.2 109.867 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -65.66 -37.55 86.85 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.229 0.538 . . . . 3.57 110.169 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.53 -24.97 41.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.718 -0.674 . . . . 2.24 111.294 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.26 -33.05 70.58 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 0.97 112.518 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.46 -29.43 65.99 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.993 0.425 . . . . 2.33 110.169 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 88' ' ' GLU . 13.9 mptt -66.39 -57.38 7.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.583 -0.735 . . . . 3.21 109.774 174.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.4 t -60.37 -35.07 60.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.597 -0.729 . . . . 1.35 110.5 -177.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -56.9 -54.31 48.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.04 -0.527 . . . . 2.3 111.109 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -76.07 -25.74 55.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.136 -0.484 . . . . 3.93 111.386 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 19.2 mm-40 -69.57 -48.33 60.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.687 0.279 . . . . 2.58 110.738 178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' VAL . 42.8 mm -60.79 -47.66 92.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.25 -0.432 . . . . 1.17 110.899 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -61.93 -36.41 81.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 2.08 111.167 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -64.63 -45.68 85.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.999 -0.546 . . . . 3.12 110.761 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -71.68 -47.85 51.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.02 -0.536 . . . . 2.41 111.062 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.47 -21.24 63.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.279 -0.418 . . . . 1.01 111.241 -178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 -70.02 -54.12 14.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.94 -0.573 . . . . 3.67 110.399 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -79.01 -19.0 52.64 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.758 0.281 . . . . 3.34 111.758 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -90.39 -7.83 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.221 0.534 . . . . 2.17 110.481 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.2 t30 54.13 51.96 13.57 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.858 -1.064 . . . . 2.33 110.874 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -117.22 102.86 52.26 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.905 -0.776 . . . . 2.08 108.905 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -52.2 118.51 4.65 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.617 2.211 . . . . 1.25 113.316 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.429 HG12 ' HB ' ' A' ' 72' ' ' ILE . 30.9 m -126.03 132.85 70.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.973 -0.558 . . . . 1.35 109.995 175.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -108.98 99.94 9.21 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.667 -0.494 . . . . 3.87 109.667 178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.461 HG12 ' HB ' ' A' ' 74' ' ' VAL . 51.8 mt -95.59 132.61 39.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 0.76 111.452 -174.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmp_? -135.01 127.23 30.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.093 -0.503 . . . . 3.34 110.156 175.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 89.3 mttt -86.27 119.21 26.31 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.413 -0.588 . . . . 1.91 109.413 172.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.8 m -140.46 133.14 32.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.083 0.468 . . . . 0.55 110.727 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.5 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 4.9 t -118.93 91.17 3.49 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-O 122.05 0.929 . . . . 1.64 108.592 170.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.1 t 177.25 119.91 0.17 Allowed Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 114.548 -1.205 . . . . 1.36 108.988 -178.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 18.0 Cg_endo -63.16 -27.08 72.76 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 121.871 1.714 . . . . 0.69 111.265 176.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -71.26 -52.0 21.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.857 -0.611 . . . . 2.37 110.305 178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -65.72 -31.64 72.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 2.12 111.294 -178.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -57.97 -45.09 87.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.091 0.472 . . . . 0.41 110.171 175.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 26.8 mtpp -67.8 -34.76 77.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.763 -0.653 . . . . 1.51 110.537 178.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -59.0 -59.9 4.72 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.155 -0.475 . . . . 2.96 111.669 179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -58.83 -37.73 77.09 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.165 -0.471 . . . . 1.29 111.281 -174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 71.0 mt -67.78 -35.07 71.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.099 0.476 . . . . 0.55 110.65 179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -72.22 -55.73 6.73 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 116.105 -0.498 . . . . 3.13 110.911 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.46 -29.52 66.1 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.405 -0.362 . . . . 2.14 111.821 -173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.429 ' CE2' HD11 ' A' ' 23' ' ' LEU . 60.6 t80 -75.94 -19.29 58.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.154 0.502 . . . . 1.57 110.385 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.406 ' OG ' HD21 ' A' ' 47' ' ' LEU . 70.5 m -79.15 -13.41 59.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.936 -0.575 . . . . 1.2 110.332 174.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -94.91 -8.57 36.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 2.77 109.937 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--O 1.246 0.907 0 CA-C-O 118.634 -0.698 . . . . 4.0 110.527 -179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.457 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.48 1.576 0 N-CA-C 112.016 -0.434 . . . . 1.16 112.016 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.6 tp -121.47 130.96 53.88 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.817 0.342 . . . . 1.91 110.267 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.458 HD11 HD13 ' A' ' 50' ' ' LEU . 0.3 OUTLIER -119.2 121.2 39.16 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.835 -0.802 . . . . 1.24 108.835 177.506 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.6 t -105.02 103.27 15.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.097 0.475 . . . . 0.95 110.96 -177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.525 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 92.9 mt -89.79 142.7 27.44 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.755 -0.831 . . . . 1.17 108.755 173.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.4 tt -151.64 101.76 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-O 121.108 0.48 . . . . 1.0 111.398 178.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -98.39 97.47 8.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.514 0.673 . . . . 2.26 109.585 175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.5 m -144.49 111.15 5.68 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.326 -0.991 . . . . 1.29 108.326 171.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -77.78 72.84 4.34 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.475 -0.89 . . . . 2.33 110.38 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -116.67 157.84 24.75 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 114.87 -1.059 . . . . 1.45 109.569 173.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.672 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -81.21 -49.77 10.38 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.093 0.473 . . . . 3.05 110.127 178.088 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -84.7 -42.13 15.57 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.028 -0.533 . . . . 3.16 111.712 -173.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.33 -53.4 54.44 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 123.424 0.452 . . . . 1.59 110.492 -176.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 74.7 mt -56.83 -51.11 71.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 120.911 0.386 . . . . 1.01 110.684 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 40.3 tt0 -58.38 -43.12 88.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.74 -0.663 . . . . 2.62 111.412 -177.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG3' ' HD2' ' A' ' 112' ' ' LYS . 20.0 tp10 -69.72 -38.59 76.97 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 116.34 -0.391 . . . . 1.61 110.698 -177.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.77 -36.39 84.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.5 110.65 177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 79.7 mtp180 -60.35 -40.66 91.51 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.788 -0.642 . . . . 3.48 110.66 177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 85.4 mttt -59.04 -48.42 81.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.186 0.517 . . . . 2.95 110.577 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.402 ' HA ' ' CE ' ' A' ' 41' ' ' MET . 1.1 tpt -66.05 -40.12 90.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 1.55 110.956 -176.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.99 -41.46 70.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.308 -0.406 . . . . 0.59 110.854 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.85 -45.31 94.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.041 -0.527 . . . . 2.38 111.198 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -64.06 -29.33 70.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 2.2 111.014 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 3.95 54.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.178 -0.465 . . . . 0.82 110.914 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 59.84 37.17 21.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.672 -0.694 . . . . 2.13 111.92 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.9 mt -99.04 176.19 5.65 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.966 -0.561 . . . . 1.18 109.623 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -121.3 142.37 50.02 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.668 -0.493 . . . . 1.61 109.668 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.65 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 2.3 pt? -138.56 147.9 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.905 0.383 . . . . 1.76 110.776 -176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 49' ' ' LEU . 8.5 mp -126.36 138.83 53.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.665 -0.698 . . . . 1.48 110.881 -177.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.4 ' HG1' HG23 ' A' ' 27' ' ' ILE . 24.7 m -141.27 100.86 3.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.69 -0.686 . . . . 2.07 109.718 174.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.514 HD21 ' HA ' ' A' ' 55' ' ' ASP . 2.1 pt? -171.84 -179.45 2.45 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.45 -0.204 . . . . 3.43 110.45 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -78.45 -50.0 12.45 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 121.038 -0.265 . . . . 2.97 110.747 -175.769 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.5 p -112.77 105.69 13.87 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.893 0.378 . . . . 3.3 110.956 176.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.514 ' HA ' HD21 ' A' ' 52' ' ' LEU . 4.0 m-20 -85.24 -8.96 58.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.213 -0.449 . . . . 3.66 110.927 -177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -39.97 -64.21 0.52 Allowed 'General case' 0 N--CA 1.471 0.622 0 O-C-N 124.065 0.853 . . . . 2.98 113.292 -174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -59.91 -42.15 93.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 4.03 111.507 -175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt -73.85 -44.08 56.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.016 -0.538 . . . . 2.99 111.255 -171.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 88.6 mt -59.85 -50.44 80.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 CA-C-O 121.211 0.529 . . . . 1.33 110.605 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -64.73 -34.02 77.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.454 -0.794 . . . . 2.01 111.095 -175.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -50.43 37.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 2.27 110.94 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 80.4 mt -64.73 -43.73 96.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.247 -0.433 . . . . 0.93 111.032 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.5 -32.96 74.57 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 120.813 0.34 . . . . 1.89 110.366 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.91 -38.89 79.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 3.41 110.222 175.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.6 m -77.68 -27.36 50.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 1.65 110.944 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 42.7 mt -76.3 -41.87 47.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.527 -0.306 . . . . 1.72 111.467 -176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 105.48 -101.87 1.92 Allowed Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.599 -0.81 . . . . 1.28 113.245 174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -52.15 157.09 6.76 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 123.405 2.737 . . . . 1.56 112.984 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.51 99.78 0.06 OUTLIER 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 123.134 2.556 . . . . 1.89 111.862 178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.457 HG13 ' C ' ' A' ' 22' ' ' GLY . 69.3 t -76.84 139.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 1.08 111.43 -175.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -88.78 127.93 35.62 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.734 -0.666 . . . . 2.53 109.587 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.3 mt -103.57 125.87 58.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.597 0.713 . . . . 1.0 112.172 -173.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.503 ' HG ' ' CD2' ' A' ' 118' ' ' PHE . 0.6 OUTLIER -118.19 110.34 17.46 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.86 -1.163 . . . . 1.22 107.86 175.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG13 ' HA ' ' A' ' 102' ' ' ILE . 7.5 p -108.95 129.82 62.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.311 0.577 . . . . 1.3 111.751 -175.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 23.3 mt -99.8 127.01 45.97 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.231 -1.026 . . . . 1.67 108.231 174.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.8 tp -130.31 117.03 19.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.654 -0.418 . . . . 1.76 110.756 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.475 ' HG3' ' HB ' ' A' ' 106' ' ' THR . 29.2 tt0 -69.68 133.76 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.516 -0.92 . . . . 1.74 108.516 173.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.29 87.03 4.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.619 0.723 . . . . 1.85 110.684 -174.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 m -110.93 174.37 5.89 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.027 -0.988 . . . . 1.2 108.664 174.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 mttp -67.25 -46.67 73.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.429 0.559 . . . . 3.57 110.32 174.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.82 -24.6 67.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.891 -0.595 . . . . 2.24 110.99 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.87 -26.12 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.768 -0.651 . . . . 0.97 112.006 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.58 -31.27 69.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.379 0.609 . . . . 2.33 109.578 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -70.51 -42.07 71.79 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 114.957 -1.019 . . . . 3.21 110.337 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.48 -37.79 71.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.936 -0.575 . . . . 1.35 109.626 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -62.1 -40.17 94.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.298 0.571 . . . . 2.3 109.962 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 41.3 tttm -61.04 -51.21 70.15 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.088 -0.96 . . . . 3.93 111.634 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -77.8 -42.28 34.38 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.457 0.54 . . . . 2.58 112.457 -173.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.17 -36.94 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.009 0.433 . . . . 1.17 110.571 -179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -76.7 -32.11 57.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.146 0.498 . . . . 2.08 109.902 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -57.67 -43.75 85.26 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.818 -0.628 . . . . 3.12 110.306 176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -65.08 -37.88 88.95 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.86 -0.609 . . . . 2.41 110.524 178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.36 -36.78 71.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.718 -0.674 . . . . 1.01 110.957 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -75.84 -40.54 54.64 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.545 -0.752 . . . . 3.67 110.879 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -68.51 -50.17 54.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.43 -0.35 . . . . 3.34 111.567 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -86.1 -2.36 58.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 2.17 111.681 -174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.4 m120 56.88 40.03 29.15 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.841 -0.618 . . . . 2.33 110.13 -177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.4 tp -115.28 109.43 46.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 115.494 -0.776 . . . . 2.08 109.133 -176.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_endo -62.77 119.97 7.28 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.12 1.88 . . . . 1.25 113.266 -174.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.2 t -113.05 121.24 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.403 -0.817 . . . . 1.35 109.866 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.6 mtt-85 -98.18 109.79 22.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.139 -0.482 . . . . 3.87 111.493 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.702 ' HA ' HG13 ' A' ' 74' ' ' VAL . 72.8 mt -85.2 126.89 40.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.834 -0.621 . . . . 0.76 111.598 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.426 ' HG3' HG13 ' A' ' 105' ' ' VAL . 22.1 tpp180 -120.98 109.98 15.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.633 -0.712 . . . . 3.34 109.988 174.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -77.02 99.84 5.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.235 -0.439 . . . . 1.91 110.697 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.426 HG13 ' HG3' ' A' ' 103' ' ' ARG . 11.1 m -145.02 143.99 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.304 -0.407 . . . . 0.55 111.384 -177.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.475 ' HB ' ' HG3' ' A' ' 77' ' ' GLU . 2.0 t -140.0 93.72 2.68 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-O 121.73 0.776 . . . . 1.64 109.668 168.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.2 m 179.66 125.07 0.22 Allowed Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 114.178 -1.374 . . . . 1.36 108.026 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 50.1 Cg_exo -54.22 -45.31 41.97 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.866 2.378 . . . . 0.69 112.799 -179.689 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.01 -45.57 91.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.641 -0.254 . . . . 2.37 111.063 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -60.82 -44.24 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 2.12 110.6 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.503 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.09 -52.89 63.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.659 -0.7 . . . . 0.41 110.794 179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.51 ' HD2' ' HG3' ' A' ' 37' ' ' GLU . 55.2 mtpt -58.26 -38.83 77.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.236 -0.438 . . . . 1.51 110.895 -179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.563 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 58.9 ttt180 -57.42 -59.57 4.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 2.96 110.715 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 94.9 m95 -59.4 -39.11 82.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.54 -0.3 . . . . 1.29 111.637 -176.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 111' ' ' ALA . 67.7 mt -62.18 -41.23 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.019 0.438 . . . . 0.55 110.787 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 116' ' ' LYS . 0.1 OUTLIER -79.68 -20.94 45.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.402 -0.363 . . . . 3.13 110.984 -177.775 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 16.1 mm-40 -72.73 -51.88 17.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.77 0.319 . . . . 2.14 110.824 177.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.503 ' CD2' ' HG ' ' A' ' 73' ' ' LEU . 39.6 m-85 -68.59 -23.76 64.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 1.57 112.177 -176.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.429 ' OG ' ' HE2' ' A' ' 116' ' ' LYS . 2.8 p -77.88 -15.77 58.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.946 0.403 . . . . 1.2 110.79 178.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -112.74 19.11 17.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 2.77 110.071 177.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.747 -0.644 . . . . 4.0 110.019 -179.044 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 111.882 -0.487 . . . . 1.16 111.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.533 HD13 ' HB3' ' A' ' 118' ' ' PHE . 49.0 tp -130.2 132.66 46.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.095 0.474 . . . . 1.91 110.968 -178.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 34.2 tp -121.82 117.5 26.69 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.86 -0.793 . . . . 1.24 108.86 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 42.9 t -103.74 115.64 46.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.729 0.299 . . . . 0.95 111.444 -174.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD12 HG22 ' A' ' 74' ' ' VAL . 17.2 mt -98.33 129.45 45.01 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.855 -1.165 . . . . 1.17 107.855 172.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.462 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 7.7 tt -150.18 103.43 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-O 121.253 0.549 . . . . 1.0 110.986 -179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.553 ' HE1' ' HA ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -111.9 97.36 6.63 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-O 123.017 1.389 . . . . 2.26 109.588 176.861 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 29.5 p -144.16 110.97 5.68 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 112.8 -2.0 . . . . 1.29 107.599 171.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -80.06 72.91 6.87 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 119.623 -0.831 . . . . 2.33 110.44 -174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -116.94 152.09 35.28 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.846 -1.07 . . . . 1.45 109.347 172.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.36 -36.39 53.67 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.851 -0.34 . . . . 3.05 110.992 179.48 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -83.86 -47.61 10.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.586 -0.279 . . . . 3.16 111.356 -173.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 72.3 mt -54.61 -54.97 34.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.149 -0.478 . . . . 1.59 111.358 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.04 -40.73 86.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.324 -0.398 . . . . 1.01 111.187 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -64.24 -56.01 17.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.572 -0.286 . . . . 2.62 111.191 -177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 34.4 mt-10 -67.34 -34.54 77.54 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 121.158 -0.217 . . . . 1.61 111.446 -177.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.6 -45.12 80.21 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.745 0.307 . . . . 0.5 110.851 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -58.31 -46.41 86.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.002 -0.545 . . . . 3.48 110.749 178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.13 -38.37 78.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.701 0.286 . . . . 2.95 111.458 -177.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.1 tpt -64.77 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.36 0.6 . . . . 1.55 110.31 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.622 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -76.17 -38.3 56.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.522 -0.763 . . . . 0.59 110.994 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -63.46 -30.19 71.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.874 0.369 . . . . 2.38 110.311 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -54.04 -42.21 68.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.723 -0.671 . . . . 2.2 111.215 176.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB3' ' CD2' ' A' ' 47' ' ' LEU . . . -107.39 7.47 29.1 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.294 -0.412 . . . . 0.82 111.24 -177.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.0 m120 69.96 52.15 0.4 Allowed 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.55 -0.75 . . . . 2.13 111.607 173.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.622 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 3.9 mm? -95.18 161.49 14.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.558 -0.746 . . . . 1.18 110.884 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -110.32 128.57 55.61 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.268 -0.641 . . . . 1.61 109.268 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.9 mp -121.04 151.07 40.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.816 0.341 . . . . 1.76 110.792 -177.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD21 HD12 ' A' ' 62' ' ' ILE . 3.4 mm? -119.57 119.17 32.99 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.755 -0.657 . . . . 1.48 109.621 173.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 35.5 m -132.62 96.91 3.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.402 -0.592 . . . . 2.07 109.402 174.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.1 pp -170.96 -164.38 0.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.634 -0.712 . . . . 3.43 109.941 -175.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -81.03 -63.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.992 -0.283 . . . . 2.97 111.758 -173.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.9 p -111.9 107.38 16.38 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.931 -0.308 . . . . 3.3 110.953 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' HB3' ' A' ' 50' ' ' LEU . 4.7 m-20 -87.83 -16.3 34.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.521 -0.308 . . . . 3.66 111.803 -174.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -55.56 -43.64 76.07 Favored 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 112.947 0.721 . . . . 2.98 112.947 -170.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HD3' ' O ' ' A' ' 57' ' ' LYS . 12.4 tmtt? -74.21 -41.17 61.8 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.832 -0.347 . . . . 4.03 110.249 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 -35.71 81.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.356 -0.384 . . . . 2.99 110.898 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.491 HD11 HD11 ' A' ' 26' ' ' LEU . 65.9 mt -56.76 -45.95 83.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.014 -0.539 . . . . 1.33 110.875 177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -58.05 -48.95 78.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.543 -0.299 . . . . 2.01 111.096 -178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -48.01 69.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 2.27 111.341 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.475 HD12 HD21 ' A' ' 50' ' ' LEU . 64.2 mt -73.7 -45.59 50.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.322 -0.399 . . . . 0.93 111.104 -178.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.7 tp -62.2 -41.63 98.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.1 -0.5 . . . . 1.89 111.51 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.85 -21.59 60.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.864 0.364 . . . . 3.41 111.27 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.8 m -83.81 -26.51 29.49 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.441 -0.345 . . . . 1.65 110.812 178.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.449 HD13 ' O ' ' A' ' 62' ' ' ILE . 6.8 mp -77.07 -41.83 40.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.691 -0.231 . . . . 1.72 111.034 175.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.45 -92.41 0.7 Allowed Glycine 0 CA--C 1.521 0.423 0 C-N-CA 120.668 -0.777 . . . . 1.28 113.316 174.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -53.2 163.79 2.14 Favored 'Trans proline' 0 N--CA 1.476 0.487 0 C-N-CA 123.726 2.951 . . . . 1.56 113.144 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.83 99.04 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.719 2.279 . . . . 1.89 111.513 177.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.3 t -79.95 139.84 17.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.386 -0.825 . . . . 1.08 111.293 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.499 ' O ' HD12 ' A' ' 23' ' ' LEU . 12.4 mmmm -78.07 116.02 18.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.359 -0.837 . . . . 2.53 109.535 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.7 mt -95.59 116.3 36.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 121.219 0.533 . . . . 1.0 110.795 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.0 tp -108.66 132.12 54.22 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.384 -0.826 . . . . 1.22 109.387 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.556 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 26.7 t -121.84 117.14 51.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.272 0.558 . . . . 1.3 111.297 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.462 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 60.0 mt -103.6 115.14 29.96 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.677 -0.86 . . . . 1.67 108.677 175.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 28' ' ' TRP . 12.3 tp -123.63 132.75 53.94 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.544 -0.462 . . . . 1.76 110.581 -175.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -94.38 140.48 29.75 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.17 -0.678 . . . . 1.74 109.17 175.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.21 87.66 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.558 0.694 . . . . 1.85 111.118 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.2 m -111.78 164.6 12.88 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.165 -0.925 . . . . 1.2 108.74 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -64.56 -53.35 49.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.224 0.466 . . . . 3.57 109.967 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.473 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -55.59 -42.91 75.48 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.713 -0.676 . . . . 2.24 110.704 177.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HA ' ' HE1' ' A' ' 28' ' ' TRP . . . -49.16 -25.02 1.93 Allowed 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 113.744 1.016 . . . . 0.97 113.744 176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.69 -35.22 74.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.646 0.736 . . . . 2.33 109.912 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -86.55 -35.64 19.4 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.236 -0.893 . . . . 3.21 110.925 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 81' ' ' ASP . 2.6 t -67.77 -32.02 54.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 109.388 -0.597 . . . . 1.35 109.388 176.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 49.2 tptt -54.53 -45.06 73.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.78 -0.645 . . . . 2.3 110.12 172.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -72.25 -45.13 61.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.683 -0.69 . . . . 3.93 111.135 -178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 7.1 mm-40 -68.78 -48.49 63.54 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.867 -0.606 . . . . 2.58 111.847 -172.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.7 mm -67.62 -34.57 68.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.841 0.353 . . . . 1.17 110.578 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.32 -40.0 93.17 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.66 -0.496 . . . . 2.08 109.66 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -62.63 -46.26 89.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.474 -0.785 . . . . 3.12 110.06 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 33.8 mmtp -59.8 -50.73 72.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.762 -0.654 . . . . 2.41 111.289 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.38 -33.37 75.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.258 -0.428 . . . . 1.01 110.973 -178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -61.58 -50.31 73.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.721 -0.672 . . . . 3.67 110.315 177.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -78.49 -9.41 59.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.896 -0.593 . . . . 3.34 111.157 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -102.05 -0.34 33.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.458 0.647 . . . . 2.17 109.491 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 61.44 34.5 18.14 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 114.959 -1.019 . . . . 2.33 111.648 177.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 76.0 mt -113.96 119.42 40.92 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.498 -0.319 . . . . 2.08 110.552 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -73.25 121.6 7.34 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 121.911 1.741 . . . . 1.25 111.552 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.8 m -123.58 137.27 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.343 -0.39 . . . . 1.35 110.709 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -104.9 104.79 14.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.95 0.405 . . . . 3.87 110.225 177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.556 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 45.4 mt -103.27 122.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.631 . . . . 0.76 110.693 -177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -126.51 150.96 48.45 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.09 -0.504 . . . . 3.34 109.752 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 52.7 mtpt -100.48 106.66 18.23 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.315 -0.402 . . . . 1.91 110.072 -176.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.7 m -136.13 145.15 31.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 0.55 110.961 -174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 106' ' ' THR . 6.5 t -143.76 93.29 2.44 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 122.162 0.982 . . . . 1.64 110.274 169.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 73.6 p 177.25 138.87 0.23 Allowed Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.372 -1.285 . . . . 1.36 108.664 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 -37.95 90.98 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 121.942 1.761 . . . . 0.69 111.35 175.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -55.68 -55.93 26.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.861 -0.609 . . . . 2.37 111.556 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -60.91 -54.62 42.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 2.12 111.099 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.09 -50.93 67.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.41 111.756 -175.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 56.4 mtpt -66.3 -27.03 67.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.439 -0.346 . . . . 1.51 111.339 -176.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 73.7 ttt180 -74.03 -50.94 17.48 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.826 -0.349 . . . . 2.96 110.52 177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -60.44 -36.58 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 1.29 110.68 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.7 mt -63.49 -44.19 98.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 110.105 -0.331 . . . . 0.55 110.105 176.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -60.89 -49.39 77.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.308 -0.405 . . . . 3.13 110.722 -179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 51.4 mt-10 -65.03 -27.58 68.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 2.14 111.447 -174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.533 ' HB3' HD13 ' A' ' 23' ' ' LEU . 25.1 m-85 -89.26 -17.27 29.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.483 177.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 53.5 m -78.09 -5.98 53.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.93 0.395 . . . . 1.2 110.67 178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -82.39 -16.45 49.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 2.77 111.062 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.45 -0.786 . . . . 4.0 110.084 175.458 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.69 0 N-CA-C 112.083 -0.407 . . . . 1.16 112.083 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 118' ' ' PHE . 44.9 tp -127.81 124.44 37.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.915 0.388 . . . . 1.91 110.757 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 65.3 tp -118.53 121.92 41.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.893 -0.594 . . . . 1.24 109.545 173.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.545 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 48.8 t -100.68 120.45 50.19 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 CA-C-N 115.649 -0.705 . . . . 0.95 110.301 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 86.4 mt -106.09 109.74 21.78 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.093 -0.706 . . . . 1.17 109.093 177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 12.9 tt -113.26 134.02 57.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.295 0.569 . . . . 1.0 111.412 -173.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.485 ' CZ3' ' HB2' ' A' ' 82' ' ' ALA . 83.8 t90 -127.9 99.84 5.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.763 -0.653 . . . . 2.26 109.484 173.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.498 ' O ' HD11 ' A' ' 35' ' ' ILE . 14.6 m -142.0 160.11 40.87 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.605 -0.725 . . . . 1.29 109.075 176.231 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -121.29 70.56 0.93 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.693 0.758 . . . . 2.33 109.326 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 11.5 t70 -119.06 151.3 38.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.65 -1.159 . . . . 1.45 109.247 172.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.34 -44.82 18.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.255 0.55 . . . . 3.05 110.746 175.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HG2' ' OE1' ' A' ' 37' ' ' GLU . 64.3 tttm -84.27 -45.47 12.82 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.817 -0.628 . . . . 3.16 110.933 -171.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.508 ' HA ' ' HB3' ' A' ' 108' ' ' PRO . 2.8 tt -54.22 -60.06 3.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 1.59 110.747 -177.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.498 HD11 ' O ' ' A' ' 29' ' ' SER . 63.7 mt -58.34 -41.05 80.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.834 0.35 . . . . 1.01 111.213 -175.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -66.64 -40.62 88.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.038 -0.528 . . . . 2.62 111.593 -176.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE1' ' HG2' ' A' ' 33' ' ' LYS . 12.2 pt-20 -87.23 -22.89 24.96 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.491 -0.483 . . . . 1.61 111.558 -176.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.54 -45.54 79.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.829 0.347 . . . . 0.5 110.602 176.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 39' ' ' ARG . 9.3 ptp85 -66.52 -37.17 84.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 3.48 111.29 -177.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 37' ' ' GLU . 14.7 ptmm? -72.97 -27.7 61.97 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.835 -0.346 . . . . 2.95 110.332 -178.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.2 tpt -69.47 -43.04 74.04 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.315 -0.624 . . . . 1.55 109.315 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -65.5 -45.61 82.89 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.447 -0.797 . . . . 0.59 110.529 176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -60.93 -39.17 88.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 2.38 110.725 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -60.89 -36.37 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 2.2 111.004 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -93.83 10.23 33.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.246 -0.434 . . . . 0.82 110.993 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 66.6 t30 61.38 38.2 16.32 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.65 -0.704 . . . . 2.13 110.906 178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD11 ' HB2' ' A' ' 119' ' ' SER . 70.9 mt -97.11 164.75 12.37 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.787 -0.642 . . . . 1.18 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -108.4 138.51 44.56 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.803 -0.635 . . . . 1.61 109.472 177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.545 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -149.32 137.2 20.46 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.236 0.541 . . . . 1.76 110.613 -179.178 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 58' ' ' LYS . 78.7 mt -132.99 154.29 50.65 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.445 -0.798 . . . . 1.48 110.59 -173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -101.06 151.15 22.15 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.85 -0.614 . . . . 2.07 109.444 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 26' ' ' LEU . 9.9 mp -90.03 109.9 20.92 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.619 0.724 . . . . 3.43 110.975 -172.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -164.63 -52.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.413 -1.329 . . . . 2.97 107.413 177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 58' ' ' LYS . 3.7 m -101.8 109.72 21.55 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.527 -0.761 . . . . 3.3 109.361 172.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.2 m-20 -84.68 -70.62 0.57 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.983 -0.553 . . . . 3.66 111.671 -175.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.59 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 12.1 p-10 -66.1 -46.09 78.84 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.681 -0.69 . . . . 2.98 112.291 -169.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 58.0 mtmt -72.51 -52.73 14.44 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.898 -0.321 . . . . 4.03 111.151 -176.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 54' ' ' THR . 24.3 ttmm -73.72 -61.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 2.99 111.425 -175.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.482 HD12 ' HA ' ' A' ' 55' ' ' ASP . 93.2 mt -66.62 -53.57 34.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.34 -0.391 . . . . 1.33 111.934 -172.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 30.3 tt0 -63.92 -46.53 84.39 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.957 -0.297 . . . . 2.01 111.772 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.96 -48.62 78.08 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.557 -0.457 . . . . 2.27 111.152 -175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.426 ' O ' HD13 ' A' ' 66' ' ' LEU . 71.1 mt -63.13 -44.58 99.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.753 0.311 . . . . 0.93 110.781 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' C ' HD13 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -61.6 -40.67 95.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.059 -0.519 . . . . 1.89 110.043 -179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -76.51 -24.13 53.73 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.318 -0.401 . . . . 3.41 111.185 -177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.9 m -78.91 -20.08 50.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.595 -0.275 . . . . 1.65 111.733 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.627 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 5.0 mp -64.82 -41.77 95.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.849 -0.34 . . . . 1.72 111.477 -177.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 109.14 -86.59 0.45 Allowed Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.292 -0.956 . . . . 1.28 113.064 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.627 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 10.7 Cg_endo -53.12 160.11 4.82 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 123.635 2.89 . . . . 1.56 112.658 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -61.4 98.0 0.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.575 2.183 . . . . 1.89 111.116 177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.4 128.17 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.608 -0.723 . . . . 1.08 111.18 -174.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -86.27 123.63 31.75 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.703 -0.851 . . . . 2.53 108.703 174.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.403 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 53.3 mt -107.36 125.41 63.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.073 0.464 . . . . 1.0 111.174 -173.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tt -113.69 109.39 18.51 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.667 -0.697 . . . . 1.22 109.229 179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' HB ' HG12 ' A' ' 102' ' ' ILE . 40.9 t -92.22 114.81 29.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 116.13 -0.486 . . . . 1.3 110.287 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 95.4 mt -100.98 106.06 17.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 1.67 109.887 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.4 mt -103.78 127.54 51.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.016 0.436 . . . . 1.76 111.012 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -75.64 117.87 17.87 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.789 -1.189 . . . . 1.74 107.789 171.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.95 88.45 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.669 0.747 . . . . 1.85 112.045 -170.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -112.79 163.96 13.96 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.021 -0.991 . . . . 1.2 108.584 172.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -58.73 -45.7 89.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.065 0.46 . . . . 3.57 110.295 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 85' ' ' VAL . 23.3 t70 -58.71 -35.32 72.47 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.746 -0.661 . . . . 2.24 111.518 178.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.485 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . . . -65.83 -23.47 66.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.195 -0.457 . . . . 0.97 112.089 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.93 -29.25 65.22 Favored 'General case' 0 CA--C 1.511 -0.527 0 CA-C-O 121.501 0.667 . . . . 2.33 109.71 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 81' ' ' ASP . 10.0 mtmp? -76.23 -47.06 25.32 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.897 -1.047 . . . . 3.21 110.16 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.1 t -63.54 -37.12 78.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.005 -0.543 . . . . 1.35 110.181 -178.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 50.3 tttp -55.63 -52.67 63.03 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 120.764 0.316 . . . . 2.3 110.912 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -67.64 -35.25 78.56 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.133 -0.485 . . . . 3.93 111.467 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.54 -41.24 96.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.775 0.321 . . . . 2.58 110.199 177.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.575 HG12 ' O ' ' A' ' 85' ' ' VAL . 46.8 mm -65.48 -44.92 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 1.17 110.531 177.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 40.1 mt-10 -61.46 -38.74 88.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.703 0.287 . . . . 2.08 111.334 -179.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -69.12 -48.19 63.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.323 -0.398 . . . . 3.12 110.983 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -72.81 -25.81 61.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.372 -0.376 . . . . 2.41 110.884 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.59 84.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.918 0.39 . . . . 1.01 110.445 178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 94' ' ' ARG . 25.1 mtm180 -68.77 -34.45 75.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.028 -0.533 . . . . 3.67 109.832 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -67.61 -34.73 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 3.34 110.723 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -99.15 15.89 24.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.888 -0.596 . . . . 2.17 111.163 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.4 p30 42.81 43.54 3.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.042 0.937 . . . . 2.33 111.745 -178.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 34.3 tp -120.55 100.43 46.98 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.757 -0.656 . . . . 2.08 110.987 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -60.84 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.56 2.173 . . . . 1.25 112.03 175.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.2 m -122.12 142.5 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.895 0.379 . . . . 1.35 110.918 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -102.81 99.49 9.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.2 -0.455 . . . . 3.87 109.826 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.474 HG12 ' HB ' ' A' ' 74' ' ' VAL . 46.2 mt -101.42 129.11 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.618 -0.264 . . . . 0.76 111.195 -176.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -142.88 157.25 44.77 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.077 -0.342 . . . . 3.34 110.077 175.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -105.54 125.12 50.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.23 -0.441 . . . . 1.91 110.521 -177.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 m -143.95 145.37 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.48 -0.327 . . . . 0.55 110.52 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 52.6 m -137.79 91.96 2.63 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.381 -0.599 . . . . 1.64 109.381 167.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 36.5 t 175.25 122.09 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 114.676 -1.147 . . . . 1.36 108.18 178.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.508 ' HB3' ' HA ' ' A' ' 34' ' ' LEU . 13.5 Cg_endo -60.3 -35.32 91.98 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.256 1.971 . . . . 0.69 112.219 177.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -66.28 -43.91 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 2.37 110.322 178.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -66.38 -46.98 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 2.12 110.649 177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.508 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.89 -55.47 32.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.946 -0.57 . . . . 0.41 111.245 -178.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.04 -32.79 70.06 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.46 -0.336 . . . . 1.51 111.638 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -65.53 -52.03 55.59 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.303 -0.258 . . . . 2.96 110.303 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.5 m95 -59.24 -37.31 77.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 1.29 111.093 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 111' ' ' ALA . 74.1 mt -63.3 -44.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.55 110.99 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.517 ' O ' ' HD2' ' A' ' 116' ' ' LYS . 2.1 tmmm? -79.25 -40.93 29.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.942 0.401 . . . . 3.13 109.925 -175.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -56.74 -38.94 73.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.593 -0.73 . . . . 2.14 110.783 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 23' ' ' LEU . 14.8 t80 -85.6 -17.79 35.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.123 -0.489 . . . . 1.57 110.169 -177.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.416 ' HB2' HD11 ' A' ' 47' ' ' LEU . 45.2 t -79.89 -12.05 59.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.288 0.566 . . . . 1.2 109.661 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -88.03 -2.55 58.68 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 115.365 -0.834 . . . . 2.77 109.532 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.376 -0.821 . . . . 4.0 109.997 179.059 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.791 0 N-CA-C 111.544 -0.622 . . . . 1.16 111.544 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.617 ' HB2' HD22 ' A' ' 47' ' ' LEU . 40.8 mt -124.51 143.47 50.65 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.918 0.389 . . . . 1.91 111.001 -177.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 HD21 HG23 ' A' ' 59' ' ' ILE . 29.6 tp -116.33 134.2 55.15 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.351 -0.981 . . . . 1.24 108.351 169.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.758 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 59.9 t -125.94 142.64 42.03 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 CA-C-O 121.193 0.521 . . . . 0.95 110.466 -175.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 pp -140.33 136.37 33.14 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.742 -0.836 . . . . 1.17 108.742 173.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.56 HG22 ' HB3' ' A' ' 75' ' ' LEU . 18.7 pt -132.75 147.73 31.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.952 0.406 . . . . 1.0 111.0 -171.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.449 ' HB3' HD12 ' A' ' 76' ' ' LEU . 32.0 t90 -137.46 94.51 2.93 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.771 -0.826 . . . . 2.26 108.771 172.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.1 m -144.74 165.21 28.72 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.917 -1.038 . . . . 1.29 109.009 175.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -134.83 72.38 1.46 Allowed 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 119.787 -0.765 . . . . 2.33 110.041 169.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.454 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 9.7 t70 -116.47 141.16 48.54 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.099 -0.955 . . . . 1.45 108.465 165.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.559 ' N ' ' HE2' ' A' ' 32' ' ' LYS . 1.1 mpmm? -58.26 -61.56 2.48 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 118.375 0.534 . . . . 3.05 111.875 -173.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -77.09 -20.33 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.085 0.402 . . . . 3.16 112.085 -174.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 55.4 tp -60.54 -49.5 77.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.803 0.335 . . . . 1.59 110.897 -176.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.76 -38.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.249 -0.432 . . . . 1.01 110.244 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -60.24 -54.64 43.36 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.394 -0.367 . . . . 2.62 111.288 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.427 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 5.9 mm-40 -62.74 -42.06 99.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 1.61 111.605 -176.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.66 94.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.442 -0.344 . . . . 0.5 110.668 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 49' ' ' LEU . 51.4 ttp180 -62.23 -37.12 84.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.872 -0.604 . . . . 3.48 111.288 -178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -73.16 -46.89 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.527 -0.306 . . . . 2.95 111.558 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 49.9 tpp -64.96 -39.04 92.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.944 0.402 . . . . 1.55 110.632 -178.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.23 -35.43 79.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 0.59 110.774 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -67.27 -40.99 86.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.246 -0.433 . . . . 2.38 110.391 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -67.45 -24.67 65.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 2.2 110.894 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.45 3.17 54.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.191 -0.459 . . . . 0.82 111.112 178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.1 m120 62.33 37.7 13.68 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.651 -0.704 . . . . 2.13 111.751 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 23' ' ' LEU . 32.1 mt -98.11 171.57 8.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.361 -0.381 . . . . 1.18 110.239 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -121.6 121.15 36.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.83 -0.433 . . . . 1.61 109.83 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.8 OUTLIER -124.34 146.57 48.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.24 0.543 . . . . 1.76 111.557 175.366 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 mp -131.82 143.72 50.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.347 -0.842 . . . . 1.48 109.003 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 4.4 t -125.33 97.19 5.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.86 0.838 . . . . 2.07 111.648 -177.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.483 HD11 ' HB2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -172.98 179.83 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.874 -1.057 . . . . 3.43 108.595 175.561 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.1 mp0 -68.48 -83.01 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 117.651 0.205 . . . . 2.97 111.457 -174.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.5 p -112.52 102.97 11.04 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 121.574 -0.704 . . . . 3.3 111.323 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' HB2' HD11 ' A' ' 52' ' ' LEU . 6.8 t70 -97.62 -7.84 30.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.911 -0.586 . . . . 3.66 111.354 177.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -41.39 -30.85 0.2 Allowed 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 114.162 1.171 . . . . 2.98 114.162 -165.578 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -56.0 -55.85 27.77 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.239 0.543 . . . . 4.03 110.434 176.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' ' 55' ' ' ASP . 30.0 mmmt -77.24 -37.31 53.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.021 -0.536 . . . . 2.99 110.711 -178.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 56' ' ' ASP . 8.7 mt -58.16 -38.76 69.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.241 -0.436 . . . . 1.33 111.352 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.7 -33.67 76.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.087 0.47 . . . . 2.01 110.279 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -75.41 -35.73 60.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 2.27 110.76 176.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.7 mt -62.44 -52.87 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.602 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 81.2 mt -54.43 -37.15 64.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.717 0.294 . . . . 1.89 111.337 175.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -65.7 -24.67 67.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.964 0.411 . . . . 3.41 110.938 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.1 m -83.88 -26.88 29.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.255 -0.43 . . . . 1.65 111.307 -178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.1 mm? -68.93 -41.25 78.35 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.716 -0.22 . . . . 1.72 111.295 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 97.83 -98.77 2.13 Favored Glycine 0 CA--C 1.52 0.375 0 C-N-CA 120.939 -0.648 . . . . 1.28 112.314 179.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 92.6 Cg_exo -47.13 161.18 0.23 Allowed 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.861 3.041 . . . . 1.56 113.478 176.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.35 115.69 2.71 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.018 2.479 . . . . 1.89 111.958 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.8 t -97.85 136.95 26.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.839 -0.619 . . . . 1.08 110.644 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -95.78 130.34 42.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.668 -0.493 . . . . 2.53 109.668 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 59.1 mt -100.92 131.05 49.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.219 0.533 . . . . 1.0 112.008 -172.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.591 HD11 ' HE ' ' A' ' 103' ' ' ARG . 49.5 tp -117.52 132.18 56.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.525 -0.761 . . . . 1.22 109.531 175.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 79.6 t -118.18 144.73 25.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.891 0.377 . . . . 1.3 110.768 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.56 ' HB3' HG22 ' A' ' 27' ' ' ILE . 6.5 tt -131.96 112.0 12.03 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.694 -0.854 . . . . 1.67 108.694 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.661 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 29.6 tp -117.49 143.72 45.77 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.801 -0.636 . . . . 1.76 110.015 -176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 84.4 tt0 -93.23 129.27 39.33 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.003 -0.74 . . . . 1.74 109.003 174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -73.18 86.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.702 0.763 . . . . 1.85 110.599 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.437 ' H ' ' HB2' ' A' ' 82' ' ' ALA . 1.9 m -113.12 174.62 5.81 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.781 -1.099 . . . . 1.2 108.735 172.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 79' ' ' THR . 37.0 ttpt -61.37 -37.61 84.01 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.621 0.646 . . . . 3.57 109.895 173.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -66.26 -25.05 66.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.292 -0.867 . . . . 2.24 111.604 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 77' ' ' GLU . . . -58.56 -35.6 72.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.475 -0.33 . . . . 0.97 111.611 -177.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -66.38 -34.73 78.63 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.383 0.611 . . . . 2.33 109.356 -179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.481 ' HA ' ' HE2' ' A' ' 87' ' ' LYS . 28.0 mtpp -66.23 -53.07 41.51 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 114.592 -1.186 . . . . 3.21 110.205 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 10.7 t -66.27 -38.26 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.757 -0.656 . . . . 1.35 110.767 -177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -63.79 -52.09 61.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.7 -0.227 . . . . 2.3 110.923 -174.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 84' ' ' LYS . 45.2 pttt -73.94 -26.39 60.48 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.703 0.26 . . . . 3.93 111.703 -172.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -74.54 -49.11 23.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.604 0.24 . . . . 2.58 110.359 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.6 mm -62.29 -37.94 79.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-O 120.973 0.416 . . . . 1.17 110.336 177.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -60.82 -46.3 91.08 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.647 -0.706 . . . . 2.08 109.688 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -66.65 -34.76 78.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.192 -0.913 . . . . 3.12 111.228 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -69.25 -47.43 64.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.359 -0.382 . . . . 2.41 110.519 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.87 -26.03 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.104 -0.498 . . . . 1.01 111.0 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -71.68 -31.7 67.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 3.67 110.299 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -79.47 -26.27 41.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.286 -0.415 . . . . 3.34 110.639 178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -85.86 -9.07 57.59 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.219 -0.446 . . . . 2.17 110.684 178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.9 m120 56.61 47.47 18.42 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.484 -0.78 . . . . 2.33 109.504 -174.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 23.9 tp -115.92 109.06 45.5 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.102 -0.954 . . . . 2.08 110.415 -171.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -54.56 139.5 75.58 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.4 2.066 . . . . 1.25 111.733 173.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.3 p -149.48 134.67 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.328 -0.396 . . . . 1.35 110.63 -175.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -107.98 99.4 8.86 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.077 -0.342 . . . . 3.87 110.077 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.547 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 55.1 mt -95.67 129.19 46.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.102 0.477 . . . . 0.76 111.213 -176.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.591 ' HE ' HD11 ' A' ' 73' ' ' LEU . 29.4 mtm105 -126.44 160.5 30.32 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.637 -0.71 . . . . 3.34 110.076 178.038 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.661 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 35.4 mtmm -126.48 101.21 6.58 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.245 -0.434 . . . . 1.91 110.312 178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.5 m -134.79 146.92 29.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.232 -0.44 . . . . 0.55 110.632 -177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.2 m -132.37 94.48 3.44 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.419 -0.956 . . . . 1.64 108.419 165.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.0 t 178.94 117.5 0.2 Allowed Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 114.739 -1.118 . . . . 1.36 108.725 -174.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.12 -29.85 87.96 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.481 2.121 . . . . 0.69 112.14 -177.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -73.5 -48.18 35.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 2.37 111.108 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.96 -39.54 94.99 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.707 0.289 . . . . 2.12 110.728 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.458 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -55.79 -46.68 77.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.984 -0.553 . . . . 0.41 110.598 178.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 58.7 mtpt -69.93 -34.87 74.03 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.501 -0.772 . . . . 1.51 110.976 -178.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.573 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 40.1 ttp180 -63.85 -51.61 63.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 2.96 110.681 -177.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -62.0 -36.25 80.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.168 -0.469 . . . . 1.29 112.096 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 111' ' ' ALA . 72.8 mt -58.81 -45.13 91.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.095 0.474 . . . . 0.55 110.121 177.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -67.91 -28.72 67.74 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.538 -0.756 . . . . 3.13 110.989 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 11.5 mm-40 -68.89 -31.89 71.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.098 -0.501 . . . . 2.14 111.212 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -90.29 -31.06 17.11 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.63 -0.259 . . . . 1.57 111.535 -177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.2 p -68.92 -40.92 78.77 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.963 0.411 . . . . 1.2 110.338 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.41 13.25 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.11 -0.496 . . . . 2.77 110.743 178.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 117' ' ' GLU . 34.7 tt0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.43 -0.795 . . . . 4.0 109.906 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.059 -0.416 . . . . 1.16 112.059 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 23' ' ' LEU . 1.1 tm? -138.57 128.53 25.32 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.593 -0.521 . . . . 1.91 109.593 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 25' ' ' VAL . 0.6 OUTLIER -109.17 134.37 51.82 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.127 -0.694 . . . . 1.24 109.127 -178.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.67 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 62.1 t -120.82 106.75 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.995 0.426 . . . . 0.95 111.51 -177.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.44 ' HB2' HG12 ' A' ' 74' ' ' VAL . 75.8 mt -93.48 111.49 23.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.473 -0.566 . . . . 1.17 109.473 172.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.9 tt -113.79 119.6 61.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.037 0.446 . . . . 1.0 110.731 -176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CZ3' HD13 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -128.16 95.23 4.11 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-O 122.086 0.946 . . . . 2.26 110.295 176.143 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.9 m -143.06 172.25 12.96 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.242 -1.345 . . . . 1.29 107.935 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -137.73 70.39 1.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 122.163 0.982 . . . . 2.33 110.909 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.6 t70 -118.25 150.01 40.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.612 -1.176 . . . . 1.45 108.299 167.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.558 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.3 tpmt? -76.85 -36.26 56.94 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 120.623 -0.431 . . . . 3.05 111.187 -177.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 37' ' ' GLU . 61.3 tttp -88.13 -39.98 14.12 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.895 -0.322 . . . . 3.16 111.142 -177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 6.2 tt -54.46 -46.73 73.4 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.789 0.328 . . . . 1.59 110.136 -178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.76 -40.11 86.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 1.01 111.041 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -63.79 -47.96 78.83 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.814 0.34 . . . . 2.62 110.385 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 33' ' ' LYS . 66.6 mm-40 -59.14 -43.56 92.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.976 -0.557 . . . . 1.61 110.787 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.82 92.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.643 -0.708 . . . . 0.5 111.111 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.537 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 41.9 ttm180 -64.04 -45.41 88.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.079 -0.509 . . . . 3.48 110.801 -179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -65.47 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.142 -0.481 . . . . 2.95 111.06 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 6.7 mmt -71.78 -36.37 70.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.888 0.375 . . . . 1.55 110.812 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.3 77.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.981 -0.554 . . . . 0.59 110.79 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 39' ' ' ARG . 39.1 mt-10 -77.62 -13.8 59.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 2.38 110.857 179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -90.77 -50.94 5.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.434 -0.348 . . . . 2.2 111.673 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.52 4.73 51.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.809 0.338 . . . . 0.82 111.773 -176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 70.53 56.03 0.27 Allowed 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.663 -0.699 . . . . 2.13 112.248 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.585 HD21 ' OG ' ' A' ' 119' ' ' SER . 3.1 mm? -104.44 158.19 16.64 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.059 0.457 . . . . 1.18 110.902 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -113.77 110.15 19.69 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.849 -0.797 . . . . 1.61 108.849 173.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.5 OUTLIER -112.2 145.6 39.6 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.099 0.476 . . . . 1.76 111.46 -177.388 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 62' ' ' ILE . 6.0 mp -131.42 150.3 52.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.569 -0.741 . . . . 1.48 110.846 -178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.6 t -89.82 152.29 21.36 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.332 -0.849 . . . . 2.07 108.837 171.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.1 tt -91.18 112.18 23.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.239 0.542 . . . . 3.43 110.774 -172.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -157.7 -63.37 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.26 -0.882 . . . . 2.97 108.799 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 p -109.37 107.64 17.9 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.666 -0.697 . . . . 3.3 109.469 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.605 ' O ' ' HB ' ' A' ' 59' ' ' ILE . 9.3 p-10 -90.31 -32.84 16.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.495 -0.32 . . . . 3.66 111.817 -172.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 19.2 t70 -76.52 -47.61 22.14 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 120.663 -0.415 . . . . 2.98 110.846 -176.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -67.25 -52.57 39.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.908 -0.587 . . . . 4.03 111.961 -173.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -86.09 -52.26 5.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.258 0.466 . . . . 2.99 112.258 -172.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.605 ' HB ' ' O ' ' A' ' 55' ' ' ASP . 83.7 mt -60.08 -47.68 90.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.616 0.246 . . . . 1.33 111.377 -174.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 33.7 tt0 -66.83 -38.75 87.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.574 -0.284 . . . . 2.01 111.014 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -61.67 -48.35 81.21 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 120.915 0.388 . . . . 2.27 110.785 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.507 HD12 HD21 ' A' ' 50' ' ' LEU . 47.7 mt -66.79 -41.6 88.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.023 -0.535 . . . . 0.93 110.995 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.41 -45.28 84.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.065 0.46 . . . . 1.89 109.969 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -67.74 -12.06 59.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.005 -0.543 . . . . 3.41 111.673 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.5 m -78.93 -27.54 43.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.5 -0.318 . . . . 1.65 110.457 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.9 mm? -78.27 -42.76 30.06 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 120.944 -0.302 . . . . 1.72 111.236 177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 114.69 -86.82 0.43 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.737 -0.744 . . . . 1.28 112.38 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -62.11 158.06 41.27 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.166 2.577 . . . . 1.56 112.461 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.13 99.23 0.08 OUTLIER 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.953 2.435 . . . . 1.89 111.732 175.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.7 t -76.31 143.95 12.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.407 -0.815 . . . . 1.08 111.037 -176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.5 mmtm -79.27 126.06 30.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.548 -0.538 . . . . 2.53 109.548 178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.8 mm -95.69 101.82 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.28 -0.418 . . . . 1.0 111.696 -173.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 tp -85.67 136.0 33.54 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.262 -0.644 . . . . 1.22 109.262 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' A' ' 102' ' ' ILE . 2.8 m -130.49 143.21 41.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-O 120.965 0.412 . . . . 1.3 110.105 177.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 75' ' ' LEU . 1.1 mm? -107.96 118.34 36.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.291 -0.633 . . . . 1.67 109.291 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.671 HD11 ' HB1' ' A' ' 82' ' ' ALA . 26.2 tp -108.16 112.63 25.24 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.785 -0.643 . . . . 1.76 111.344 -174.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.64 114.42 22.61 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.229 -1.026 . . . . 1.74 108.229 171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -69.57 88.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.289 0.566 . . . . 1.85 111.826 -173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.515 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 32.3 p -111.91 -169.76 1.53 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.814 -0.63 . . . . 1.2 110.876 175.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -68.53 -46.69 68.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.528 -0.305 . . . . 3.57 111.044 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -78.11 -24.91 47.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.112 0.482 . . . . 2.24 110.346 -176.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.671 ' HB1' HD11 ' A' ' 76' ' ' LEU . . . -64.54 -18.79 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.353 -0.84 . . . . 0.97 111.969 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -76.43 -32.28 58.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.241 0.543 . . . . 2.33 110.214 -177.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -76.92 -46.86 22.81 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.472 -0.786 . . . . 3.21 110.555 178.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 p -68.98 -31.23 49.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.272 -0.422 . . . . 1.35 110.715 -178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -53.31 -46.11 69.25 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.168 0.509 . . . . 2.3 110.162 173.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -68.39 -45.26 73.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.605 -0.725 . . . . 3.93 110.701 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -63.41 -41.45 98.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.827 -0.624 . . . . 2.58 111.864 -174.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 85' ' ' VAL . 39.7 mm -60.69 -45.52 97.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.577 -0.283 . . . . 1.17 111.095 -179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -68.13 -37.74 81.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.794 0.33 . . . . 2.08 110.791 -179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -66.54 -49.87 65.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.185 -0.461 . . . . 3.12 110.938 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -65.78 -28.75 69.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.448 -0.342 . . . . 2.41 110.357 -178.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.24 -29.54 70.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.344 -0.389 . . . . 1.01 110.959 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -77.68 -34.78 52.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 3.67 110.326 179.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -75.75 -26.76 57.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.191 -0.459 . . . . 3.34 111.188 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -100.63 -12.29 19.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.861 0.363 . . . . 2.17 110.723 -177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 t30 59.1 68.9 0.77 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.533 0.683 . . . . 2.33 110.086 -176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 42.6 tp -139.66 125.54 11.97 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.417 -0.81 . . . . 2.08 109.747 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -72.9 117.58 5.18 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.079 1.853 . . . . 1.25 111.629 177.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 30.6 m -122.03 140.53 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.275 -0.42 . . . . 1.35 110.406 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 18.8 mmt180 -120.17 97.92 5.82 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.841 0.353 . . . . 3.87 110.451 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.697 ' HA ' HG22 ' A' ' 74' ' ' VAL . 16.4 mt -90.89 129.12 42.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.811 -0.631 . . . . 0.76 111.443 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -136.57 125.77 24.68 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.134 -0.484 . . . . 3.34 109.901 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.52 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -76.3 118.42 18.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.58 -0.282 . . . . 1.91 110.765 178.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 34.2 m -145.29 144.55 21.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.01 -0.541 . . . . 0.55 110.668 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.7 m -149.96 91.79 1.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.302 -0.629 . . . . 1.64 109.302 165.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.3 p 176.72 139.16 0.22 Allowed Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.155 -0.929 . . . . 1.36 109.277 177.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 81.0 Cg_exo -47.59 -60.15 0.98 Allowed 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.6 2.2 . . . . 0.69 113.193 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -58.5 -42.01 86.67 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 112.269 0.47 . . . . 2.37 112.269 -172.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -60.02 -51.5 69.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.683 0.277 . . . . 2.12 110.883 178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.56 91.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.41 110.547 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 52.9 mtpt -62.77 -31.05 71.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.843 -0.617 . . . . 1.51 111.174 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -71.55 -61.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.511 -0.313 . . . . 2.96 111.31 179.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -54.35 -37.3 64.78 Favored 'General case' 0 N--CA 1.463 0.211 0 O-C-N 123.33 0.393 . . . . 1.29 111.696 -172.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.74 -49.22 83.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.179 -0.464 . . . . 0.55 111.402 179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.7 pttp -80.63 -27.12 37.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.044 0.449 . . . . 3.13 110.436 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -71.42 -35.48 70.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.585 -0.734 . . . . 2.14 110.615 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.418 ' O ' ' HG2' ' A' ' 121' ' ' GLU . 7.5 m-85 -78.31 -15.98 58.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.021 0.439 . . . . 1.57 110.956 176.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.585 ' OG ' HD21 ' A' ' 47' ' ' LEU . 38.5 m -78.88 -16.73 56.67 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.417 -0.356 . . . . 1.2 111.121 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -106.26 25.01 11.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.107 0.48 . . . . 2.77 111.358 -176.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 118' ' ' PHE . 11.2 pt-20 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.572 -0.728 . . . . 4.0 109.695 173.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' C ' HD22 ' A' ' 23' ' ' LEU . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.69 -0.564 . . . . 1.16 111.69 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.43 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.2 mm? -128.5 116.1 19.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.947 0.403 . . . . 1.91 111.183 -177.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 ' O ' ' HA ' ' A' ' 72' ' ' ILE . 57.3 tp -110.33 103.15 11.77 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 1.24 108.362 172.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -113.0 137.74 44.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-O 121.069 0.461 . . . . 0.95 111.572 -171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.2 mt -117.56 137.93 52.26 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 1.17 109.565 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.8 tt -150.74 118.11 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.054 0.454 . . . . 1.0 110.759 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.591 ' HE1' HD22 ' A' ' 76' ' ' LEU . 39.3 p-90 -114.88 104.77 12.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 122.066 0.936 . . . . 2.26 109.832 175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.5 p -145.13 171.79 14.02 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.168 -1.378 . . . . 1.29 108.541 172.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -135.01 69.76 1.45 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.358 1.075 . . . . 2.33 110.137 166.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.527 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 23.0 t70 -116.2 135.31 54.02 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.107 -1.406 . . . . 1.45 108.299 169.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -68.72 -31.16 70.03 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.841 0.353 . . . . 3.05 110.994 -172.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -85.29 -45.36 12.03 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.195 -0.457 . . . . 3.16 110.944 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 51.2 tp -58.72 -51.48 69.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 1.59 111.367 -178.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -59.69 -43.89 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.453 -0.339 . . . . 1.01 110.716 -179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -61.29 -53.38 57.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.107 -0.497 . . . . 2.62 110.6 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.453 ' HB3' ' HD2' ' A' ' 112' ' ' LYS . 7.7 mm-40 -62.04 -43.38 98.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 1.61 111.903 -177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.89 95.85 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.825 0.345 . . . . 0.5 110.62 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -67.14 -45.44 77.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.925 -0.579 . . . . 3.48 110.831 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 72.3 mmtt -58.97 -44.61 91.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.362 -0.381 . . . . 2.95 111.043 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.8 tpt -69.2 -39.06 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.347 -0.388 . . . . 1.55 110.702 -179.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.412 ' HA ' HD21 ' A' ' 47' ' ' LEU . . . -63.35 -38.74 92.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.108 0.48 . . . . 0.59 110.693 178.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -63.55 -41.62 98.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.588 -0.733 . . . . 2.38 110.603 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 68.9 mttm -55.07 -46.9 75.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.925 -0.579 . . . . 2.2 111.717 -176.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -95.53 6.4 49.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.198 0.523 . . . . 0.82 111.329 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 58.56 51.61 7.77 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.005 -0.998 . . . . 2.13 112.185 173.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -112.05 165.3 12.24 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.015 -0.365 . . . . 1.18 110.015 175.729 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -96.43 106.42 18.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.341 0.591 . . . . 1.61 111.079 -176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.3 tp -104.64 127.98 52.55 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.125 -0.943 . . . . 1.76 109.976 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.8 mp -102.36 128.97 48.7 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.282 -0.417 . . . . 1.48 109.91 177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 27' ' ' ILE . 5.4 m -132.54 96.4 3.83 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.411 -0.589 . . . . 2.07 109.411 176.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.536 ' CD1' ' HA ' ' A' ' 55' ' ' ASP . 0.3 OUTLIER -171.24 149.39 2.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.582 -0.735 . . . . 3.43 109.711 -177.366 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -44.5 -59.75 2.29 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.999 0.74 . . . . 2.97 112.999 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.495 ' HB ' ' OD2' ' A' ' 56' ' ' ASP . 16.7 p -111.93 110.76 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.797 0.332 . . . . 3.3 110.998 177.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' HA ' ' CD1' ' A' ' 52' ' ' LEU . 4.0 m-20 -84.39 -12.02 55.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 3.66 112.077 -176.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' OD2' ' HB ' ' A' ' 54' ' ' THR . 7.4 p-10 -51.01 -55.82 15.52 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 113.588 0.958 . . . . 2.98 113.588 -168.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -72.21 -31.38 65.82 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.897 0.38 . . . . 4.03 110.92 -175.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -69.54 -39.24 77.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.118 0.485 . . . . 2.99 109.969 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' O ' ' HB3' ' A' ' 63' ' ' LEU . 73.8 mt -58.84 -39.37 77.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.496 -0.774 . . . . 1.33 110.94 177.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -50.33 -54.43 21.63 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.985 0.422 . . . . 2.01 110.95 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -71.22 -47.16 59.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.514 -0.766 . . . . 2.27 111.599 -175.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -65.81 -47.5 85.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 120.589 0.233 . . . . 0.93 111.255 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.459 ' HB3' ' O ' ' A' ' 59' ' ' ILE . 10.9 tp -62.52 -36.75 83.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.746 0.308 . . . . 1.89 110.611 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -66.84 -25.44 66.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.224 0.535 . . . . 3.41 110.154 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.9 m -78.35 -31.22 48.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.77 -0.65 . . . . 1.65 110.267 178.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.601 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -73.24 -42.35 62.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.541 -0.3 . . . . 1.72 110.376 173.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.42 -99.73 2.06 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.159 -0.544 . . . . 1.28 112.615 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.601 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 13.2 Cg_endo -57.26 163.52 8.04 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.621 2.881 . . . . 1.56 113.116 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -57.03 98.6 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.75 2.3 . . . . 1.89 111.65 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 p -91.43 153.33 3.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.225 -0.898 . . . . 1.08 109.54 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -78.53 129.12 34.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.946 0.403 . . . . 2.53 111.087 -173.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' HA ' ' O ' ' A' ' 24' ' ' LEU . 55.8 mt -109.01 130.73 61.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.327 -177.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.8 tp -118.5 129.61 55.47 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.365 -0.976 . . . . 1.22 108.365 172.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 45.8 t -118.13 126.04 74.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.011 0.434 . . . . 1.3 111.506 -174.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.5 104.57 15.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.394 -0.821 . . . . 1.67 109.067 176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.591 HD22 ' HE1' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -98.88 105.41 17.55 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.391 -0.822 . . . . 1.76 110.642 -172.573 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.57 129.14 37.6 Favored 'General case' 0 C--O 1.233 0.228 0 C-N-CA 119.906 -0.718 . . . . 1.74 109.991 175.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -72.95 86.55 1.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.327 0.584 . . . . 1.85 110.923 -176.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 m -113.86 167.77 10.36 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.516 -0.766 . . . . 1.2 109.725 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -58.26 -36.4 73.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 3.57 111.205 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.692 ' O ' ' HG2' ' A' ' 84' ' ' LYS . 15.2 m-20 -74.51 -23.46 58.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.906 -0.588 . . . . 2.24 111.774 -176.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.521 ' HA ' ' CZ2' ' A' ' 28' ' ' TRP . . . -42.53 -31.48 0.44 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 114.193 1.183 . . . . 0.97 114.193 -178.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.34 -32.77 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.344 0.592 . . . . 2.33 110.267 -174.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 81' ' ' ASP . 13.1 ptpt -86.44 -31.28 21.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.443 -0.799 . . . . 3.21 110.345 -177.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.9 t -78.47 -38.4 22.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.61 -0.268 . . . . 1.35 110.294 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -61.02 -48.99 79.26 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.868 0.366 . . . . 2.3 110.416 -178.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 97.4 mttt -66.8 -35.35 79.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.78 -0.645 . . . . 3.93 110.91 -178.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 12.0 mm-40 -68.38 -46.32 70.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.42 -0.354 . . . . 2.58 111.521 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.72 -35.48 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.754 -0.461 . . . . 1.17 109.754 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -61.5 -42.01 98.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.663 -0.699 . . . . 2.08 109.939 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 31.1 mmmt -59.15 -48.71 80.6 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.34 -0.391 . . . . 3.12 110.729 176.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 44.3 mmtm -62.92 -34.69 77.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 2.41 110.632 -176.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 98' ' ' LEU . . . -66.58 -54.22 25.99 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.525 -0.762 . . . . 1.01 111.475 -179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -71.91 -24.32 61.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.587 -0.279 . . . . 3.67 111.409 -176.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -76.51 -4.85 44.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.952 0.406 . . . . 3.34 110.692 176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -116.63 5.24 13.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.445 0.641 . . . . 2.17 109.793 175.523 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 58.83 37.66 24.81 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.428 -0.806 . . . . 2.33 110.698 -176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' O ' ' HB1' ' A' ' 93' ' ' ALA . 34.8 tp -131.34 98.45 18.48 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.302 -0.408 . . . . 2.08 110.196 -176.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -57.76 152.32 50.24 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.539 2.159 . . . . 1.25 112.895 178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.6 m -126.55 132.74 69.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.087 -0.506 . . . . 1.35 110.493 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -92.91 98.98 11.72 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.77 -0.456 . . . . 3.87 109.77 178.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.473 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 48.9 mt -99.93 129.9 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.166 -0.47 . . . . 0.76 111.209 -175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.9 ptp180 -136.14 143.55 44.57 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.545 -0.539 . . . . 3.34 109.545 172.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 54.7 mtpt -91.32 102.99 15.69 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.115 -0.493 . . . . 1.91 110.967 -173.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 26.4 m -140.93 142.91 29.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.301 -0.863 . . . . 0.55 110.283 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.4 t -148.84 94.72 2.3 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.922 0.868 . . . . 1.64 109.701 168.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 p 178.7 137.96 0.25 Allowed Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.636 -1.166 . . . . 1.36 109.076 176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_endo -49.8 -55.2 4.35 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.98 2.453 . . . . 0.69 113.009 -173.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -57.19 -51.3 69.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.926 -0.579 . . . . 2.37 111.814 -174.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.1 mm-40 -64.1 -44.68 91.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.978 -176.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.33 -47.06 86.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.094 -0.503 . . . . 0.41 110.635 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.453 ' HD2' ' HB3' ' A' ' 37' ' ' GLU . 62.4 mtpt -62.97 -36.29 82.98 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.545 -0.752 . . . . 1.51 110.805 -178.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -59.11 -54.29 48.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.049 -0.523 . . . . 2.96 111.459 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -64.98 -39.97 94.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 1.29 110.809 -176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 69.8 mt -63.43 -38.97 83.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 0.55 110.004 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 41.3 ttmt -62.83 -54.18 42.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.004 -0.544 . . . . 3.13 110.647 178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -57.39 -33.45 67.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.582 -0.736 . . . . 2.14 112.209 -176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -87.57 -29.12 21.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.217 0.451 . . . . 1.57 112.217 -177.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 p -78.42 -28.22 46.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.86 0.319 . . . . 1.2 111.86 -175.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 9.1 pt-20 -78.31 -3.2 41.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.805 0.336 . . . . 2.77 111.199 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 118.701 -0.666 . . . . 4.0 109.874 178.203 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.51 ' C ' HG23 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.482 1.723 0 N-CA-C 112.389 -0.284 . . . . 1.16 112.389 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD23 ' HB2' ' A' ' 71' ' ' LYS . 97.0 mt -132.47 116.34 16.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.836 0.35 . . . . 1.91 110.986 -179.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 72' ' ' ILE . 37.8 tp -107.41 104.31 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.672 -0.862 . . . . 1.24 108.672 173.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.712 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 26.3 t -107.35 143.62 17.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.228 -0.442 . . . . 0.95 110.259 -174.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -151.63 144.15 24.21 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 120.926 0.393 . . . . 1.17 110.028 177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.531 HG12 ' HB2' ' A' ' 75' ' ' LEU . 78.7 mt -127.05 129.62 71.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.868 -175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 24.1 t90 -116.84 95.92 5.24 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.829 -0.804 . . . . 2.26 108.829 168.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 m -144.62 160.4 41.23 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.195 -0.912 . . . . 1.29 108.616 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -122.66 71.12 1.02 Allowed 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 119.461 -0.896 . . . . 2.33 109.347 171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.4 t70 -117.44 169.57 9.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.501 -1.227 . . . . 1.45 109.214 174.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -66.95 0.81 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.071 0.462 . . . . 3.05 110.871 175.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.13 -12.04 39.45 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 3.16 112.975 -169.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.3 tt -59.39 -49.58 77.27 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.261 -0.644 . . . . 1.59 109.261 179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.37 -40.87 64.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.837 -0.619 . . . . 1.01 110.293 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -57.93 -58.53 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.968 -0.56 . . . . 2.62 111.556 -178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 61.1 mm-40 -66.2 -35.69 81.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.664 0.268 . . . . 1.61 111.611 -176.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.03 85.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.853 0.358 . . . . 0.5 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.07 -35.05 78.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 3.48 110.384 179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.436 ' HD3' ' HA ' ' A' ' 37' ' ' GLU . 55.6 mtpt -63.03 -39.5 94.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.084 -0.507 . . . . 2.95 111.121 177.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 97.5 mmm -71.07 -41.84 70.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.14 -0.482 . . . . 1.55 110.661 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.94 96.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.087 -0.506 . . . . 0.59 110.412 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -60.13 -37.63 80.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.615 -0.721 . . . . 2.38 111.116 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -61.1 -39.13 88.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.419 . . . . 2.2 111.284 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.13 8.5 44.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.929 0.395 . . . . 0.82 110.829 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m120 59.17 42.12 19.22 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.43 -0.805 . . . . 2.13 111.169 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD22 ' HB2' ' A' ' 23' ' ' LEU . 44.9 mt -90.47 157.54 17.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.052 -0.522 . . . . 1.18 109.723 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -94.55 101.49 13.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.84 -0.43 . . . . 1.61 109.84 179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.712 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 8.3 tt -109.18 121.15 44.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.5 . . . . 1.76 110.046 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD21 ' A' ' 52' ' ' LEU . 5.6 mp -100.21 134.05 43.72 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.708 -0.678 . . . . 1.48 111.108 -177.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.3 m -121.77 99.41 6.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.238 -0.653 . . . . 2.07 109.238 173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD21 HD23 ' A' ' 50' ' ' LEU . 2.9 pp -163.53 -172.71 3.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.465 -0.334 . . . . 3.43 111.507 -170.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.413 ' O ' HD11 ' A' ' 89' ' ' ILE . 71.5 mm-40 -97.58 -72.28 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.436 0.46 . . . . 2.97 110.455 177.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.455 HG22 ' HE3' ' A' ' 92' ' ' LYS . 11.3 p -90.32 128.58 36.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 3.3 111.199 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.738 ' HB2' HD12 ' A' ' 59' ' ' ILE . 6.7 p-10 -83.99 -26.19 29.39 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.869 -0.605 . . . . 3.66 111.376 -169.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -59.98 -24.49 64.48 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.132 0.79 . . . . 2.98 113.132 -170.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -76.09 -68.8 0.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 4.03 111.596 -177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -72.77 -32.74 65.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.24 -0.436 . . . . 2.99 111.581 -172.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.738 HD12 ' HB2' ' A' ' 55' ' ' ASP . 22.6 mt -65.92 -33.34 62.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.746 -0.382 . . . . 1.33 110.532 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -51.1 -50.97 57.74 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.759 0.314 . . . . 2.01 111.093 176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -72.95 -48.81 33.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.914 -0.585 . . . . 2.27 111.351 -178.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 69.8 mt -65.51 -47.16 87.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.93 111.759 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.483 HD22 HD11 ' A' ' 98' ' ' LEU . 9.3 tp -61.6 -35.99 79.43 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 120.758 0.313 . . . . 1.89 110.559 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -65.05 -24.49 67.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.3 0.572 . . . . 3.41 109.982 177.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.2 m -84.41 -26.65 28.15 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.721 -0.672 . . . . 1.65 111.056 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.504 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.4 mm? -70.39 -43.19 70.57 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 121.147 -0.221 . . . . 1.72 110.981 178.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.61 -104.06 2.88 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.94 -0.648 . . . . 1.28 112.758 177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.504 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 96.2 Cg_exo -48.07 157.46 1.15 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.791 2.994 . . . . 1.56 113.548 176.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -44.0 110.97 0.22 Allowed 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 123.556 2.837 . . . . 1.89 112.366 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.51 HG23 ' C ' ' A' ' 22' ' ' GLY . 3.2 p -107.16 142.3 20.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.525 -0.761 . . . . 1.08 110.303 -176.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.437 ' HB2' HD23 ' A' ' 23' ' ' LEU . 95.3 mttt -78.08 129.98 35.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.049 -0.352 . . . . 2.53 110.049 -179.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.503 HD12 HD23 ' A' ' 24' ' ' LEU . 10.7 mm -101.51 99.41 8.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.135 0.493 . . . . 1.0 109.921 -177.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 109.04 21.53 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.687 -0.857 . . . . 1.22 108.687 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 102' ' ' ILE . 1.4 m -113.32 138.6 42.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.221 -0.592 . . . . 1.3 110.881 -179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 27' ' ' ILE . 2.2 mm? -118.95 135.91 54.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.023 -0.732 . . . . 1.67 109.023 178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 49.2 tp -131.29 142.58 50.14 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.206 -0.452 . . . . 1.76 110.404 -175.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.42 ' HG3' ' OG1' ' A' ' 106' ' ' THR . 49.7 tt0 -96.26 127.49 42.31 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.253 -0.647 . . . . 1.74 109.253 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -73.65 86.72 1.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.452 0.644 . . . . 1.85 110.617 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -112.72 -174.32 2.43 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.661 -0.866 . . . . 1.2 108.661 170.639 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' H ' HG22 ' A' ' 79' ' ' THR . 35.3 mmtp -68.35 -34.25 75.74 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.421 0.629 . . . . 3.57 109.4 174.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -62.46 -24.41 67.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.172 -0.922 . . . . 2.24 111.337 175.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.459 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -62.84 -20.42 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.487 -0.324 . . . . 0.97 111.595 -177.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.41 -40.37 62.05 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 121.038 -0.265 . . . . 2.33 110.981 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 13.7 ptmt -79.64 -46.55 16.97 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 121.087 -0.245 . . . . 3.21 111.27 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 82' ' ' ALA . 12.3 p -64.11 -35.45 73.76 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.261 0 CA-C-N 116.748 -0.205 . . . . 1.35 111.232 -174.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -60.5 -49.24 78.36 Favored 'General case' 0 C--O 1.225 -0.198 0 N-CA-C 109.97 -0.382 . . . . 2.3 109.97 176.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.539 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 56.8 mtpt -61.62 -50.53 72.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.141 -0.481 . . . . 3.93 111.024 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 40.1 mt-10 -63.4 -47.27 82.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.049 -0.523 . . . . 2.58 111.354 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 53' ' ' GLU . 42.6 mm -71.35 -34.94 55.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.25 -0.432 . . . . 1.17 111.108 -178.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -66.31 -40.22 89.83 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.139 -0.319 . . . . 2.08 110.139 -178.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' ' 87' ' ' LYS . 35.2 mmtp -65.48 -39.93 92.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.356 -0.384 . . . . 3.12 110.365 177.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.455 ' HE3' HG22 ' A' ' 54' ' ' THR . 59.9 mttm -67.66 -45.59 74.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.73 -0.668 . . . . 2.41 111.186 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.87 96.03 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.98 0.419 . . . . 1.01 110.469 179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.21 -44.57 92.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.701 -0.681 . . . . 3.67 110.468 177.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.424 ' O ' ' HD2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -63.1 -37.85 88.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.885 -0.598 . . . . 3.34 110.263 -179.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -87.8 10.62 17.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.485 -0.325 . . . . 2.17 111.31 -178.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.3 m120 60.11 42.93 14.9 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.885 -0.598 . . . . 2.33 111.716 176.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD11 HD22 ' A' ' 63' ' ' LEU . 88.7 mt -115.1 119.03 39.51 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.369 -0.378 . . . . 2.08 110.653 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.48 118.68 5.43 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 121.496 1.464 . . . . 1.25 110.649 172.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.5 m -107.6 135.3 46.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.169 0.509 . . . . 1.35 111.593 -175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -103.0 96.14 6.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.629 -0.714 . . . . 3.87 109.229 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.561 ' HA ' HG22 ' A' ' 74' ' ' VAL . 22.6 mt -86.83 123.05 39.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.76 111.362 -178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -126.8 122.89 36.04 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.132 -0.485 . . . . 3.34 109.771 171.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 53.5 mtmt -88.94 110.38 21.06 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.121 0.486 . . . . 1.91 110.344 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.4 m -137.86 147.09 26.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.543 -0.753 . . . . 0.55 110.59 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.42 ' OG1' ' HG3' ' A' ' 77' ' ' GLU . 23.8 m -137.93 92.98 2.72 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.114 -0.699 . . . . 1.64 109.114 166.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 8.2 p 177.49 115.5 0.16 Allowed Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.057 -0.974 . . . . 1.36 109.783 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 53.0 Cg_exo -53.82 -35.14 78.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.69 112.906 177.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.15 -50.3 70.95 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.627 0.251 . . . . 2.37 111.016 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -70.96 -35.96 72.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.444 -0.344 . . . . 2.12 110.756 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.14 -45.46 90.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.41 110.821 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 57.9 mtpt -64.23 -39.24 93.54 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.007 -0.542 . . . . 1.51 110.482 177.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 117' ' ' GLU . 29.4 ttm180 -60.68 -55.85 28.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.255 -0.884 . . . . 2.96 111.523 -176.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 50.7 m95 -56.13 -38.49 70.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.29 111.105 -177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.1 mt -68.56 -45.53 81.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.317 -0.401 . . . . 0.55 111.533 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -70.58 -27.99 64.54 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.601 -0.44 . . . . 3.13 110.969 -178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 113' ' ' ARG . 38.1 mt-10 -72.33 -27.82 62.67 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.735 0.272 . . . . 2.14 111.735 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -85.54 -28.14 25.1 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.895 -0.322 . . . . 1.57 111.257 179.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 p -79.41 -17.71 53.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.41 -0.359 . . . . 1.2 111.611 -175.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -82.93 -8.08 59.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.362 . . . . 2.77 110.595 177.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.773 -0.632 . . . . 4.0 109.684 176.217 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.507 -0.637 . . . . 1.16 111.507 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.407 ' CD2' ' HB2' ' A' ' 71' ' ' LYS . 97.1 mt -134.65 151.53 51.11 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.992 0.425 . . . . 1.91 111.023 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 ' HB3' HG12 ' A' ' 72' ' ' ILE . 49.8 tp -133.2 139.37 46.97 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.648 -0.871 . . . . 1.24 108.648 175.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.631 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.6 t -122.51 120.9 62.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.992 0.425 . . . . 0.95 110.583 -178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 HD12 HG22 ' A' ' 74' ' ' VAL . 47.5 mt -99.52 137.46 37.98 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.633 -0.877 . . . . 1.17 108.633 176.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 11.0 tt -135.57 129.05 48.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 120.845 0.355 . . . . 1.0 110.786 -176.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.404 ' HZ3' ' HB2' ' A' ' 82' ' ' ALA . 36.6 t90 -144.61 94.0 2.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.654 0.74 . . . . 2.26 110.415 174.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.491 ' O ' HD11 ' A' ' 35' ' ' ILE . 39.5 t -145.94 135.59 23.26 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 107.739 -1.208 . . . . 1.29 107.739 171.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -88.4 73.55 8.76 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 119.247 -0.981 . . . . 2.33 109.46 176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.437 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 18.5 t70 -116.61 161.97 18.36 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.458 -0.792 . . . . 1.45 110.024 175.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -81.42 -60.92 2.09 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.182 0.515 . . . . 3.05 110.591 174.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -80.45 -37.66 31.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.904 -0.589 . . . . 3.16 112.352 -171.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 5.2 tt -52.5 -52.54 53.96 Favored 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.267 0.354 . . . . 1.59 110.328 -175.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 29' ' ' SER . 25.1 mt -65.2 -41.87 92.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.276 -0.42 . . . . 1.01 110.763 -177.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.05 -52.83 45.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 2.62 111.755 -177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.485 0.184 . . . . 1.61 111.253 -177.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.66 -37.08 84.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.5 110.413 178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HA ' ' CD1' ' A' ' 49' ' ' LEU . 53.7 ttm-85 -64.76 -53.04 53.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.08 -0.509 . . . . 3.48 110.341 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 44' ' ' LYS . 14.3 mptt -54.48 -42.75 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.34 -0.391 . . . . 2.95 111.256 177.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.4 tpt -68.34 -36.88 79.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.063 -0.517 . . . . 1.55 111.448 -176.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.473 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -74.14 -39.36 63.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.449 -0.341 . . . . 0.59 111.213 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' A' ' 39' ' ' ARG . 11.4 mm-40 -59.06 -28.4 66.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 2.38 111.37 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.533 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 96.3 mttt -61.5 -43.04 99.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.99 0.424 . . . . 2.2 110.829 179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.42 9.18 43.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 0.82 110.899 -177.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 60.3 46.42 10.17 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.243 -0.889 . . . . 2.13 110.602 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 36.8 mt -101.02 123.16 44.78 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.002 -0.544 . . . . 1.18 109.584 177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -77.54 129.38 35.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.534 -0.303 . . . . 1.61 110.723 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.631 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 7.5 mt -104.48 140.24 38.24 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.246 -0.434 . . . . 1.76 109.887 173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.547 HD21 HD12 ' A' ' 62' ' ' ILE . 78.9 mt -131.79 137.33 48.11 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.536 -0.756 . . . . 1.48 110.185 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.4 m -88.45 151.21 22.7 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.802 -0.635 . . . . 2.07 109.571 178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 0.7 OUTLIER -92.59 109.5 20.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.612 0.72 . . . . 3.43 111.147 -171.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -164.49 -58.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.35 -1.296 . . . . 2.97 108.462 178.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 ' HB ' ' HB3' ' A' ' 57' ' ' LYS . 2.9 p -101.92 112.78 25.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.336 -0.847 . . . . 3.3 109.756 174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.565 ' CG ' ' HE2' ' A' ' 92' ' ' LYS . 0.4 OUTLIER -87.68 -71.78 0.55 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.121 -0.49 . . . . 3.66 112.125 -172.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' O ' ' HB3' ' A' ' 60' ' ' GLU . 3.8 m-20 -69.76 -22.8 63.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 111.749 0.278 . . . . 2.98 111.749 -176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 64.2 tttp -75.48 -60.42 2.32 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.418 -0.513 . . . . 4.03 110.97 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -69.51 -48.38 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.069 -0.514 . . . . 2.99 111.265 -172.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 63' ' ' LEU . 97.6 mt -70.11 -50.89 44.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.058 -0.519 . . . . 1.33 112.044 -173.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 56' ' ' ASP . 14.1 tp10 -54.41 -48.27 71.81 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 111.863 0.32 . . . . 2.01 111.863 -174.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -49.98 71.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.559 -176.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.573 ' O ' HD22 ' A' ' 66' ' ' LEU . 81.9 mt -73.79 -44.26 52.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.187 -0.46 . . . . 0.93 110.512 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -51.6 -46.37 63.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.315 0.579 . . . . 1.89 110.459 178.55 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -61.23 -28.6 69.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.27 -0.877 . . . . 3.41 110.613 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.7 m -78.59 -25.45 45.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.762 -0.653 . . . . 1.65 111.374 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.573 HD22 ' O ' ' A' ' 62' ' ' ILE . 1.6 mm? -74.05 -43.8 56.51 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.105 -0.638 . . . . 1.72 110.355 175.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.18 -98.41 0.98 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.536 -0.84 . . . . 1.28 113.404 171.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.436 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 30.2 Cg_endo -63.44 169.23 9.98 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.182 2.588 . . . . 1.56 112.464 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -52.22 103.54 0.08 OUTLIER 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.606 2.204 . . . . 1.89 111.691 174.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 6.1 m -102.09 140.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.628 -0.715 . . . . 1.08 110.371 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . 63.8 mttm -79.37 118.96 21.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.079 -0.509 . . . . 2.53 110.255 -176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 24' ' ' LEU . 50.3 mt -95.64 119.94 44.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.933 -0.576 . . . . 1.0 111.042 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.427 ' O ' ' HA ' ' A' ' 25' ' ' VAL . 16.3 tp -98.35 126.8 44.0 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.321 -0.622 . . . . 1.22 109.321 175.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 44.6 t -113.63 121.55 66.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-O 120.724 0.297 . . . . 1.3 110.986 -178.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.9 mt -100.58 99.91 10.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.864 -0.791 . . . . 1.67 108.864 175.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.4 tp -110.48 133.68 53.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.029 -0.532 . . . . 1.76 111.097 -173.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 8.8 tp10 -75.34 153.26 37.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.663 -0.699 . . . . 1.74 109.524 174.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -100.71 86.33 3.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.568 0.699 . . . . 1.85 110.97 -177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 0.6 OUTLIER -112.34 168.36 9.69 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.325 -0.852 . . . . 1.2 108.831 171.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.59 -47.21 84.81 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.312 0.505 . . . . 3.57 111.292 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -71.0 -24.76 62.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.105 0.478 . . . . 2.24 110.636 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' HA ' HG12 ' A' ' 85' ' ' VAL . . . -64.65 -12.9 50.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.688 -0.687 . . . . 0.97 111.914 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -79.52 -32.48 42.3 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.379 -0.6 . . . . 2.33 109.379 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.588 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 18.8 ttmm -71.83 -45.04 62.81 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.219 -0.9 . . . . 3.21 110.315 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' A' ' 82' ' ' ALA . 13.4 p -65.8 -33.51 64.1 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-O 120.938 0.399 . . . . 1.35 110.256 -176.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -58.4 -47.92 82.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.082 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -73.4 -32.43 64.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.766 -0.652 . . . . 3.93 111.915 -177.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.588 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 31.0 mt-10 -63.25 -50.41 70.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.068 0.461 . . . . 2.58 109.827 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.2 mm -66.78 -37.28 79.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.768 -0.651 . . . . 1.17 110.682 178.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -64.41 -46.78 81.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.87 -0.605 . . . . 2.08 111.14 -177.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -70.46 -38.28 74.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 3.12 110.761 -179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.565 ' HE2' ' CG ' ' A' ' 55' ' ' ASP . 27.4 mtpp -62.42 -46.67 87.52 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.27 -0.423 . . . . 2.41 110.573 176.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.446 ' HA ' ' HB3' ' A' ' 96' ' ' LYS . . . -60.39 -33.66 72.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 1.01 111.141 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -63.13 -44.05 96.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.959 -0.564 . . . . 3.67 110.15 178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -81.72 -3.07 52.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 3.34 111.145 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 93' ' ' ALA . 49.6 tptt -103.16 -8.61 20.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.232 -0.44 . . . . 2.17 110.453 -174.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.6 t30 59.41 37.64 23.1 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.903 0.859 . . . . 2.33 109.564 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 25.2 tp -119.5 120.64 30.61 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.349 -0.842 . . . . 2.08 110.556 -173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 16.5 Cg_exo -67.93 119.16 6.17 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.748 2.299 . . . . 1.25 112.1 179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 98.1 t -133.3 114.31 20.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.211 -0.45 . . . . 1.35 110.645 -177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -104.79 105.35 15.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.299 -0.41 . . . . 3.87 109.942 -179.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.511 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 56.6 mt -94.18 134.92 30.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.897 0.379 . . . . 0.76 111.382 -175.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -130.7 129.89 43.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 3.34 109.732 175.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -85.57 114.02 22.26 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.896 -0.593 . . . . 1.91 109.805 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 32.6 m -137.69 144.56 30.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.904 0.383 . . . . 0.55 111.313 -176.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.461 ' O ' HG23 ' A' ' 106' ' ' THR . 10.3 t -146.22 91.21 2.03 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-O 122.296 1.046 . . . . 1.64 108.847 165.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.4 m 176.69 123.84 0.16 Allowed Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 113.798 -1.546 . . . . 1.36 107.953 -177.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -60.7 -39.54 62.61 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.456 2.104 . . . . 0.69 112.132 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -67.16 -42.69 83.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 2.37 111.124 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -65.28 -41.33 94.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.501 -0.318 . . . . 2.12 111.15 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.424 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -58.55 -52.48 65.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.857 0.361 . . . . 0.41 111.017 179.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -63.41 -31.66 72.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.07 -0.514 . . . . 1.51 110.583 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -62.55 -47.55 83.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.542 -0.753 . . . . 2.96 111.027 -178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' O ' ' HD1' ' A' ' 118' ' ' PHE . 15.3 m95 -71.41 -37.67 71.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.47 -0.332 . . . . 1.29 110.611 -178.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 111' ' ' ALA . 64.6 mt -63.68 -36.95 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.395 . . . . 0.55 110.188 176.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -61.64 -43.36 99.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.933 -0.576 . . . . 3.13 110.411 177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.01 -43.82 98.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.901 -0.591 . . . . 2.14 110.705 177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.427 ' HD1' ' O ' ' A' ' 114' ' ' TRP . 26.0 m-85 -73.78 -15.72 61.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.744 -0.662 . . . . 1.57 112.225 -178.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 59.1 m -63.94 -11.01 24.45 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 120.766 0.317 . . . . 1.2 111.596 -179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -95.5 -9.77 31.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.309 . . . . 2.77 110.955 177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.255 -0.879 . . . . 4.0 111.04 -173.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' C ' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.818 -0.513 . . . . 1.16 111.818 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 71' ' ' LYS . 57.0 tp -134.04 130.58 37.72 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.986 0.422 . . . . 1.91 111.257 -178.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tt -120.12 137.65 54.03 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.169 -1.049 . . . . 1.24 108.169 172.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.751 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.7 t -129.98 146.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.813 0.34 . . . . 0.95 110.148 -176.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 HD11 ' HB ' ' A' ' 74' ' ' VAL . 4.4 pp -141.81 146.39 35.83 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 109.389 -0.597 . . . . 1.17 109.389 173.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 6.2 tt -138.95 124.56 22.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 121.117 0.484 . . . . 1.0 110.835 -176.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -117.0 97.78 6.13 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.198 -0.667 . . . . 2.26 109.198 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.473 ' HB3' ' HB2' ' A' ' 77' ' ' GLU . 34.2 p -143.22 171.2 14.42 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.377 -0.829 . . . . 1.29 109.195 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 35' ' ' ILE . 38.6 t-20 -139.25 73.27 1.42 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.701 0.763 . . . . 2.33 109.522 170.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.565 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 25.0 t70 -116.26 168.43 10.14 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.792 -1.095 . . . . 1.45 109.051 172.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -74.48 -55.13 6.29 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.22 0.534 . . . . 3.05 110.036 172.693 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -91.19 -40.43 11.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.496 -0.774 . . . . 3.16 112.072 -171.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 2.5 tm? -54.48 -39.02 67.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.756 0.312 . . . . 1.59 110.48 -175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 30' ' ' ASN . 75.1 mt -71.91 -55.82 12.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.298 -0.41 . . . . 1.01 110.654 176.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -62.04 -40.32 95.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.006 -0.543 . . . . 2.62 112.011 -172.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.401 ' HG3' ' HB3' ' A' ' 108' ' ' PRO . 78.6 mm-40 -66.28 -44.28 84.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.586 0.231 . . . . 1.61 111.249 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.87 -38.84 79.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.286 0.565 . . . . 0.5 109.968 177.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -53.76 -53.53 50.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.718 -1.128 . . . . 3.48 111.046 177.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -66.58 -41.96 87.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.13 -0.486 . . . . 2.95 111.351 -178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 11.6 tpt -61.52 -47.15 86.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.678 0.275 . . . . 1.55 111.329 -178.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.74 -35.36 80.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.122 0.487 . . . . 0.59 110.833 179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -67.84 -43.07 80.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.719 -0.673 . . . . 2.38 110.526 178.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.49 -29.89 70.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 2.2 111.263 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.32 5.33 45.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.101 -0.5 . . . . 0.82 111.327 -178.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 60.29 33.4 20.91 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.986 -0.552 . . . . 2.13 111.271 178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.26 157.73 16.98 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.142 -0.481 . . . . 1.18 110.41 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -91.41 96.8 10.71 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.071 -0.513 . . . . 1.61 109.629 175.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.751 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 3.6 tp -103.69 122.97 46.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.794 -0.639 . . . . 1.76 110.361 -177.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.96 123.33 48.48 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.794 -0.639 . . . . 1.48 110.986 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 51' ' ' THR . 9.6 t -117.81 98.69 6.49 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.842 0.83 . . . . 2.07 109.167 172.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 54' ' ' THR . 1.7 pp -171.71 177.7 3.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.406 -0.815 . . . . 3.43 110.582 -170.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -90.24 -54.42 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.649 0.24 . . . . 2.97 111.649 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.426 ' O ' HD13 ' A' ' 52' ' ' LEU . 5.5 t -92.3 109.07 20.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 3.3 110.238 -178.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -90.31 -53.66 4.35 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.322 -0.854 . . . . 3.66 113.153 -166.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -58.64 -30.01 66.96 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.051 0.76 . . . . 2.98 113.051 -166.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -63.3 -40.23 96.78 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.646 -0.422 . . . . 4.03 111.199 -178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -86.35 -36.28 19.33 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.852 -0.339 . . . . 2.99 110.19 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.13 -44.13 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 1.33 110.633 177.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.47 -44.95 95.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.347 -0.388 . . . . 2.01 110.701 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -59.77 -50.33 74.25 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.007 0.432 . . . . 2.27 110.789 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.43 ' O ' HD13 ' A' ' 66' ' ' LEU . 82.6 mt -62.74 -50.87 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.769 -0.65 . . . . 0.93 110.966 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 12.3 tp -61.97 -39.95 93.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.922 -0.581 . . . . 1.89 110.959 -177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -63.25 -29.51 70.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.965 0.412 . . . . 3.41 110.465 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.1 m -77.1 -38.74 51.67 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.018 -0.537 . . . . 1.65 110.442 177.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 62' ' ' ILE . 8.6 mp -69.86 -40.31 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 1.72 110.81 178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.44 -98.52 1.29 Allowed Glycine 0 CA--C 1.519 0.289 0 C-N-CA 120.902 -0.666 . . . . 1.28 113.11 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.61 150.57 16.17 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.457 2.772 . . . . 1.56 112.975 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -48.7 104.24 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 123.33 2.686 . . . . 1.89 112.167 176.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.466 HG13 ' C ' ' A' ' 22' ' ' GLY . 56.1 t -84.54 145.86 7.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 115.302 -0.863 . . . . 1.08 110.706 -178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.449 ' O ' HD12 ' A' ' 23' ' ' LEU . 35.3 mmtp -77.86 122.83 25.98 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.448 -0.575 . . . . 2.53 109.448 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.7 mt -103.39 110.66 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.443 0.64 . . . . 1.0 110.966 -178.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.5 tp -97.22 123.43 41.0 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.643 -0.708 . . . . 1.22 109.442 175.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.541 ' CG2' ' HA ' ' A' ' 102' ' ' ILE . 2.0 m -112.87 130.41 66.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 CA-C-O 121.489 0.662 . . . . 1.3 109.731 179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.46 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 20.0 tp -119.2 112.51 19.58 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.327 -0.99 . . . . 1.67 108.327 -175.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 9.8 tp -120.2 135.28 55.03 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.721 -0.391 . . . . 1.76 111.016 -168.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 29' ' ' SER . 14.5 tt0 -89.6 151.72 21.77 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.504 -0.924 . . . . 1.74 108.504 173.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.403 ' N ' ' HG2' ' A' ' 77' ' ' GLU . 6.9 m-20 -79.59 85.74 5.3 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.52 0.676 . . . . 1.85 110.3 176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.445 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 5.9 m -112.59 156.05 23.34 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.107 -0.951 . . . . 1.2 109.276 173.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -58.6 -50.72 72.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.398 . . . . 3.57 110.038 177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -63.97 -28.98 70.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.923 -0.58 . . . . 2.24 110.854 177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.91 -23.11 63.17 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.96 -0.564 . . . . 0.97 111.695 -175.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -72.01 -31.21 66.0 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.952 -0.759 . . . . 2.33 108.952 179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.602 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 65.7 mttm -66.84 -39.88 87.77 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.824 -1.08 . . . . 3.21 109.845 175.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 89' ' ' ILE . 4.2 t -71.28 -32.17 46.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.065 -0.516 . . . . 1.35 109.966 178.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -58.55 -44.33 89.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.976 0.417 . . . . 2.3 110.85 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.535 ' HG2' ' O ' ' A' ' 84' ' ' LYS . 14.5 ptmm? -74.57 -18.28 60.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.059 -0.519 . . . . 3.93 110.763 -178.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.656 ' O ' ' HG2' ' A' ' 92' ' ' LYS . 42.4 mt-10 -78.67 -52.46 8.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.916 -0.402 . . . . 2.58 109.916 176.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.521 HG12 ' O ' ' A' ' 85' ' ' VAL . 49.4 mm -55.23 -38.42 47.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.79 -0.641 . . . . 1.17 111.433 -178.384 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -71.38 -34.0 70.03 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 2.08 110.15 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -74.59 -33.03 62.54 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.515 -0.312 . . . . 3.12 111.023 177.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.656 ' HG2' ' O ' ' A' ' 88' ' ' GLU . 75.3 mmtt -57.6 -47.21 82.77 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.401 0.62 . . . . 2.41 109.697 177.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.52 -40.51 75.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.753 -1.112 . . . . 1.01 111.892 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.78 -42.53 40.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.113 -0.494 . . . . 3.67 110.706 -176.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -70.04 -49.76 47.99 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.119 -0.491 . . . . 3.34 111.347 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -98.99 9.06 44.35 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 2.17 112.105 -174.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 66.6 t30 54.65 55.72 7.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 114.748 -1.115 . . . . 2.33 112.111 173.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.425 ' HA ' ' HD3' ' A' ' 99' ' ' PRO . 95.1 mt -124.33 133.53 24.79 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.254 -0.43 . . . . 2.08 110.15 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 98' ' ' LEU . 11.5 Cg_exo -72.4 119.09 5.92 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.305 2.004 . . . . 1.25 112.392 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.99 143.46 40.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.49 -0.559 . . . . 1.35 109.49 177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -127.64 108.56 10.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.815 -0.354 . . . . 3.87 110.602 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.541 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 51.8 mt -77.88 128.6 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.633 -0.712 . . . . 0.76 111.316 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -129.96 114.26 15.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.993 -0.549 . . . . 3.34 110.085 175.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 31.0 mmtp -83.26 111.61 19.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 1.91 110.402 177.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.5 m -142.14 150.19 19.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.059 0.457 . . . . 0.55 111.127 -178.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.3 m -140.64 92.01 2.47 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 108.276 -1.009 . . . . 1.64 108.276 162.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 31.4 t 175.92 112.97 0.11 Allowed Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 115.031 -0.986 . . . . 1.36 109.203 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.401 ' HB3' ' HG3' ' A' ' 37' ' ' GLU . 80.0 Cg_exo -47.76 -35.68 24.29 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.228 2.619 . . . . 0.69 113.383 176.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -65.07 -54.55 28.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.911 0.386 . . . . 2.37 110.683 178.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -60.97 -39.48 89.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 2.12 110.785 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.61 -48.5 80.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.952 -0.567 . . . . 0.41 111.097 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.74 -30.36 70.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.378 -0.374 . . . . 1.51 111.494 -178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -59.19 -54.25 49.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.776 0.322 . . . . 2.96 111.147 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 45.9 m95 -65.81 -32.84 74.6 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.116 -0.493 . . . . 1.29 111.065 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.08 -35.78 75.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.117 0.484 . . . . 0.55 110.335 177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -40.4 40.24 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.956 -0.566 . . . . 3.13 109.983 -178.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -58.17 -45.17 87.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.538 -0.755 . . . . 2.14 111.552 -177.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -77.94 -30.31 50.37 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.092 0.404 . . . . 1.57 112.092 -174.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 44.2 p -89.06 -41.5 12.28 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.911 -0.316 . . . . 1.2 111.794 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.06 -13.86 54.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.555 -0.293 . . . . 2.77 111.327 -177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 . . . . . 0 C--O 1.25 1.107 0 O-C-N 123.832 0.708 . . . . 4.0 110.748 -179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 70' ' ' VAL . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.846 -0.502 . . . . 1.16 111.846 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.401 HD22 ' C ' ' A' ' 22' ' ' GLY . 3.1 mm? -125.1 134.25 52.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.078 0.466 . . . . 1.91 111.499 -177.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 72' ' ' ILE . 51.9 tp -126.31 116.16 20.8 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.859 -0.793 . . . . 1.24 108.859 172.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 35.2 t -103.38 115.83 46.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 120.856 0.36 . . . . 0.95 110.315 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' VAL . 39.9 mt -105.98 132.33 52.19 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.023 -0.732 . . . . 1.17 109.023 178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.0 tt -130.6 139.83 50.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 120.986 0.422 . . . . 1.0 110.86 -177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 76' ' ' LEU . 62.6 t90 -141.26 93.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.615 0.722 . . . . 2.26 109.182 172.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.9 m -145.83 171.19 15.16 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.241 -0.891 . . . . 1.29 109.199 176.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.433 ' HA ' HD11 ' A' ' 35' ' ' ILE . 47.4 t30 -134.36 70.52 1.45 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.967 0.889 . . . . 2.33 109.172 167.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.493 ' OD1' ' HB2' ' A' ' 33' ' ' LYS . 18.2 t70 -119.21 140.77 49.66 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.543 -1.208 . . . . 1.45 109.779 170.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' H ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.96 -29.6 69.5 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.111 -0.495 . . . . 3.05 111.291 179.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' HB2' ' OD1' ' A' ' 31' ' ' ASP . 93.0 mttt -81.11 -54.53 5.45 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.057 -0.349 . . . . 3.16 110.057 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.586 HD21 ' H ' ' A' ' 107' ' ' SER . 88.2 mt -51.25 -55.86 15.98 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.065 -0.516 . . . . 1.59 111.866 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 30' ' ' ASN . 66.2 mt -63.84 -33.71 63.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.397 -0.365 . . . . 1.01 111.119 -174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.515 ' HG2' ' HE3' ' A' ' 40' ' ' LYS . 33.8 tt0 -77.5 -46.76 21.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.569 -0.287 . . . . 2.62 111.277 -178.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -70.75 -39.12 73.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.739 -0.209 . . . . 1.61 111.467 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.02 93.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.931 0.396 . . . . 0.5 110.4 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 39' ' ' ARG . 33.8 ttt180 -64.49 -39.27 93.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 3.48 110.4 177.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.515 ' HE3' ' HG2' ' A' ' 36' ' ' GLU . 94.4 mttt -63.1 -48.55 78.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.015 -0.539 . . . . 2.95 111.041 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.427 ' HE3' ' HB2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -66.21 -47.19 74.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.159 -0.473 . . . . 1.55 109.96 -178.156 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.33 -36.11 68.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.59 111.036 179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -72.08 -43.62 64.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.187 0.518 . . . . 2.38 110.02 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -62.16 -40.6 96.55 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.541 -0.754 . . . . 2.2 111.856 -176.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 10.14 40.14 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.873 0.323 . . . . 0.82 111.873 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.7 m120 55.63 40.99 31.01 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.114 -0.494 . . . . 2.13 111.465 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 65.6 mt -98.51 148.75 23.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.252 -0.431 . . . . 1.18 109.886 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -85.8 107.04 17.46 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.918 0.39 . . . . 1.61 110.217 178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 5.3 tp -100.6 110.96 23.14 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 1.76 109.624 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 HD21 HD12 ' A' ' 62' ' ' ILE . 11.2 mp -109.95 141.64 42.43 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.018 -0.537 . . . . 1.48 110.932 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.9 m -88.81 151.16 22.55 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.043 -0.725 . . . . 2.07 109.043 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.3 mt -89.24 109.11 20.03 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.628 0.728 . . . . 3.43 110.309 -175.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -162.67 -59.61 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.498 -1.228 . . . . 2.97 108.517 -178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 p -96.88 108.55 21.27 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.52 -0.763 . . . . 3.3 109.58 171.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.568 ' HA ' HD12 ' A' ' 59' ' ' ILE . 19.1 t70 -86.77 -60.2 2.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.476 -0.784 . . . . 3.66 111.912 -172.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -65.59 -48.74 71.28 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.63 -0.714 . . . . 2.98 111.941 -170.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -74.61 -69.27 0.47 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 4.03 112.187 -172.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -59.36 -50.77 72.7 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.114 0.412 . . . . 2.99 112.114 -171.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 55' ' ' ASP . 96.6 mt -62.45 -55.51 23.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 111.937 0.347 . . . . 1.33 111.937 -174.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 37.1 tt0 -69.72 -45.31 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.999 0.37 . . . . 2.01 111.999 -173.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.61 -45.04 95.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.656 0.265 . . . . 2.27 111.643 -176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.402 HD12 HD21 ' A' ' 50' ' ' LEU . 61.0 mt -69.15 -38.75 78.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 116.693 -0.23 . . . . 0.93 111.167 -177.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD12 ' C ' ' A' ' 63' ' ' LEU . 1.8 pp -73.29 -31.41 64.03 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.543 -0.463 . . . . 1.89 110.169 -177.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtm -67.96 -37.22 81.31 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.856 0.36 . . . . 3.41 110.306 175.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.0 m -69.35 -18.03 63.75 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.795 -0.639 . . . . 1.65 111.317 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 HD23 HG22 ' A' ' 70' ' ' VAL . 62.4 tp -77.55 -41.73 37.97 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.72 111.172 -176.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.19 -95.06 0.91 Allowed Glycine 0 CA--C 1.522 0.474 0 C-N-CA 120.317 -0.944 . . . . 1.28 113.819 173.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -47.1 158.19 0.51 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.958 3.105 . . . . 1.56 113.547 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -48.75 112.58 0.65 Allowed 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.49 2.793 . . . . 1.89 112.331 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.495 HG22 HD23 ' A' ' 66' ' ' LEU . 11.4 t -95.6 128.73 46.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.623 -0.717 . . . . 1.08 111.01 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -95.95 133.09 40.56 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.969 -0.56 . . . . 2.53 109.656 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 24' ' ' LEU . 20.7 mm -101.75 106.51 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.156 0.503 . . . . 1.0 111.421 -173.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.2 tp -100.2 121.82 42.05 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.394 -0.821 . . . . 1.22 109.536 175.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.461 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 49.8 t -113.82 119.55 61.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.897 0.379 . . . . 1.3 110.577 -179.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.02 113.42 26.4 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.352 -0.61 . . . . 1.67 109.352 176.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.497 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 22.6 tp -116.6 141.34 48.32 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.211 -0.45 . . . . 1.76 111.042 -173.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -86.04 125.86 33.74 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.889 -0.782 . . . . 1.74 108.889 173.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.6 87.77 6.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.299 0.571 . . . . 1.85 111.251 -175.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 33.3 p -111.4 -175.08 2.61 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.649 -0.705 . . . . 1.2 109.996 172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -76.06 -44.69 37.83 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.835 0.35 . . . . 3.57 110.733 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.54 -24.53 60.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.268 -0.424 . . . . 2.24 110.679 179.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.71 -24.61 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.97 111.306 176.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -68.8 -24.3 64.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.667 0.746 . . . . 2.33 109.217 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -78.85 -42.28 27.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.049 -0.978 . . . . 3.21 110.221 176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.63 -37.89 80.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.047 -0.524 . . . . 1.35 109.781 -179.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 55.0 tttp -64.09 -35.12 79.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.249 0.547 . . . . 2.3 110.399 177.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.461 ' O ' ' HG2' ' A' ' 91' ' ' LYS . 62.5 tttp -71.92 -45.2 62.01 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.449 -0.796 . . . . 3.93 111.559 -177.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 89' ' ' ILE . 6.5 pt-20 -80.22 -42.95 22.3 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.302 0.482 . . . . 2.58 112.302 -174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.447 ' N ' ' HG3' ' A' ' 88' ' ' GLU . 44.7 mm -63.44 -33.18 59.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.099 0.476 . . . . 1.17 110.136 -178.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 94' ' ' ARG . 16.5 tt0 -59.11 -43.53 91.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.532 -0.758 . . . . 2.08 110.071 176.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.596 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 46.6 mmtm -68.6 -48.3 64.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 3.12 110.652 -179.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 65.3 mttp -58.69 -40.12 82.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.164 0.507 . . . . 2.41 110.966 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.56 83.88 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.823 176.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 90' ' ' GLU . 99.7 mtt180 -72.76 -37.78 67.56 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.274 -0.421 . . . . 3.67 110.693 179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.596 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 74.9 mmtt -62.71 -31.1 71.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.47 . . . . 3.34 110.764 179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 4.8 ptpp? -97.41 11.7 35.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 2.17 110.691 -178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 55.03 48.22 20.29 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.307 -0.861 . . . . 2.33 111.397 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 41.7 tp -128.48 101.24 21.48 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 115.959 -0.564 . . . . 2.08 110.764 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -59.93 132.85 47.13 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.251 1.967 . . . . 1.25 111.534 173.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG12 HG21 ' A' ' 72' ' ' ILE . 27.0 m -128.47 143.29 41.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.485 -0.325 . . . . 1.35 110.877 -176.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -109.26 101.72 10.71 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.055 -0.35 . . . . 3.87 110.055 176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.461 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -96.05 115.22 34.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.208 0.527 . . . . 0.76 111.215 -176.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -117.85 135.96 53.75 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.752 -0.658 . . . . 3.34 109.782 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 51.3 mtmt -101.89 109.06 20.71 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.988 0.423 . . . . 1.91 110.282 -177.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.7 m -133.76 145.12 33.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.989 -0.55 . . . . 0.55 110.639 -176.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.489 ' HA ' HD11 ' A' ' 34' ' ' LEU . 43.7 m -137.23 92.11 2.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.479 0.656 . . . . 1.64 109.341 166.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.586 ' H ' HD21 ' A' ' 34' ' ' LEU . 18.4 m 178.07 118.16 0.18 Allowed Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 113.926 -1.488 . . . . 1.36 107.537 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.23 -37.26 96.14 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.875 2.383 . . . . 0.69 112.606 -176.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -65.07 -40.56 94.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 2.37 111.122 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.58 -43.89 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 2.12 110.497 179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.505 ' O ' HG13 ' A' ' 115' ' ' ILE . . . -56.98 -48.1 79.21 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.191 -0.458 . . . . 0.41 110.86 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -58.49 -39.68 80.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.781 -0.645 . . . . 1.51 111.399 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -68.64 -31.44 70.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.415 -0.357 . . . . 2.96 111.291 -174.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -79.67 -35.79 38.64 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.688 -0.405 . . . . 1.29 110.204 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 111' ' ' ALA . 59.0 mt -63.98 -31.52 53.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.165 0.507 . . . . 0.55 110.203 177.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 60.0 tttt -81.22 -41.38 22.37 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 121.237 0.541 . . . . 3.13 110.119 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.05 -31.03 68.49 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.328 -0.851 . . . . 2.14 111.275 -175.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -87.08 -33.19 19.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.453 -0.34 . . . . 1.57 111.603 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 12.0 p -81.58 -18.64 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.181 0.437 . . . . 1.2 112.181 -174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 116' ' ' LYS . 19.3 mm-40 -71.56 -18.23 62.26 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 111.964 0.357 . . . . 2.77 111.964 -178.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.15 -0.929 . . . . 4.0 110.755 178.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.786 -0.525 . . . . 1.16 111.786 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.2 tp -140.07 131.23 26.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.844 0.354 . . . . 1.91 110.725 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -111.28 108.71 18.43 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.709 -0.848 . . . . 1.24 108.709 176.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 21.9 t -99.84 105.69 17.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.951 0.405 . . . . 0.95 111.285 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.7 mt -99.93 129.48 46.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.341 -0.614 . . . . 1.17 109.341 173.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.507 HG23 HG22 ' A' ' 51' ' ' THR . 5.1 tt -144.76 115.77 2.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.169 0.509 . . . . 1.0 110.881 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.402 ' HE1' ' HG2' ' A' ' 53' ' ' GLU . 65.8 t90 -101.48 100.05 10.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.304 0.573 . . . . 2.26 109.494 177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -143.49 136.82 28.05 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.592 -0.731 . . . . 1.29 109.496 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -109.26 72.75 0.82 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 122.204 1.002 . . . . 2.33 109.27 171.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.529 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 17.7 t70 -116.1 170.87 8.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.466 -1.243 . . . . 1.45 109.391 176.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.501 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -80.37 -68.58 0.66 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.802 -0.359 . . . . 3.05 110.807 174.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -90.46 -20.96 22.14 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.274 0.472 . . . . 3.16 112.274 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 1.6 tm? -61.67 -37.71 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.483 -0.562 . . . . 1.59 109.483 -179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' O ' ' HG3' ' A' ' 39' ' ' ARG . 72.7 mt -72.96 -43.81 58.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 1.01 110.069 176.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 40' ' ' LYS . 33.9 tt0 -57.29 -54.5 46.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.792 -0.64 . . . . 2.62 111.378 -177.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 40' ' ' LYS . 68.0 mm-40 -65.61 -21.1 66.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.478 -0.328 . . . . 1.61 111.768 -176.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -77.59 -47.43 19.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.709 0.29 . . . . 0.5 110.444 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 35' ' ' ILE . 26.0 mtm180 -60.77 -52.8 63.57 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.139 -0.482 . . . . 3.48 111.398 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 36' ' ' GLU . 19.8 ptmt -62.0 -33.3 74.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.303 -0.408 . . . . 2.95 111.178 -177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 14.7 tpt -69.78 -45.88 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 1.55 110.393 -179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.23 74.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.717 -0.674 . . . . 0.59 111.141 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -66.05 -31.02 71.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.103 -0.499 . . . . 2.38 110.415 -178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 26.6 mtpp -60.61 -44.33 96.41 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.33 -0.395 . . . . 2.2 111.447 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.11 13.4 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.454 -0.339 . . . . 0.82 111.24 -178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 58.81 41.38 21.64 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.581 -0.736 . . . . 2.13 111.349 177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.437 HD11 ' HB3' ' A' ' 119' ' ' SER . 43.7 mt -91.62 154.64 18.9 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.079 -0.51 . . . . 1.18 110.64 -177.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -95.66 108.59 20.89 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.524 -0.547 . . . . 1.61 109.524 178.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 1.6 pt? -120.35 141.4 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.166 0.507 . . . . 1.76 110.51 178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.3 mt -132.62 109.9 10.06 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.395 -0.821 . . . . 1.48 110.456 -176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 27' ' ' ILE . 14.5 p -89.08 98.22 11.64 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.602 -0.518 . . . . 2.07 109.602 176.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.476 HD13 ' N ' ' A' ' 53' ' ' GLU . 3.1 tm? -170.16 148.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.456 -0.572 . . . . 3.43 109.456 -171.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 52' ' ' LEU . 23.8 mt-10 -55.23 -86.43 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.088 0.242 . . . . 2.97 111.497 -179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.5 p -111.76 103.59 11.87 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-O 121.513 0.673 . . . . 3.3 110.002 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.544 ' HB3' ' CD1' ' A' ' 59' ' ' ILE . 6.5 t70 -94.96 -6.33 42.67 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.252 -0.885 . . . . 3.66 110.833 -176.058 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.434 ' HA ' ' HB ' ' A' ' 59' ' ' ILE . 10.9 p-10 -40.81 -27.01 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 115.081 1.511 . . . . 2.98 115.081 -170.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -66.05 -55.64 15.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 118.255 0.48 . . . . 4.03 110.692 175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 58' ' ' LYS . 50.0 mtmt -73.85 -38.27 64.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.422 -0.354 . . . . 2.99 110.482 -178.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.544 ' CD1' ' HB3' ' A' ' 55' ' ' ASP . 53.3 mt -51.65 -44.4 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.72 -0.673 . . . . 1.33 110.875 175.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -57.82 -40.78 80.79 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.178 -0.464 . . . . 2.01 110.705 -178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -65.04 -47.61 76.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.501 -0.318 . . . . 2.27 110.82 178.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.85 -57.36 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.268 -0.424 . . . . 0.93 111.066 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 tp -55.23 -48.28 74.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 115.544 -0.753 . . . . 1.89 111.543 -178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -69.29 -25.01 64.03 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.976 0.417 . . . . 3.41 110.863 -176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.2 t -86.25 -11.03 53.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.482 . . . . 1.65 110.569 -179.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 32.3 mt -76.51 -39.52 52.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.565 -0.289 . . . . 1.72 111.048 178.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.51 -93.62 0.57 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.718 -0.753 . . . . 1.28 112.458 174.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_endo -60.78 160.65 24.22 Favored 'Trans proline' 0 N--CA 1.471 0.179 0 C-N-CA 123.072 2.514 . . . . 1.56 111.804 178.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.79 98.69 0.17 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.367 2.045 . . . . 1.89 111.352 177.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 81.3 t -77.56 136.66 23.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.576 -0.738 . . . . 1.08 110.659 -176.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -78.61 119.46 21.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.051 -0.522 . . . . 2.53 110.254 -178.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.516 ' HB ' HG22 ' A' ' 100' ' ' VAL . 58.6 mt -95.23 123.25 47.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.325 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -111.05 120.56 42.77 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.477 -0.783 . . . . 1.22 109.208 176.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.534 ' HB ' HG12 ' A' ' 102' ' ' ILE . 37.5 t -112.28 126.5 69.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 109.649 -0.5 . . . . 1.3 109.649 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 29.0 tp -126.78 131.94 51.16 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.669 -0.696 . . . . 1.67 109.143 -175.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 2.6 mm? -127.23 137.28 52.86 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.92 0.39 . . . . 1.76 111.355 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.47 ' OE1' ' HB ' ' A' ' 106' ' ' THR . 5.1 tp10 -84.25 129.62 34.87 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.015 -1.476 . . . . 1.74 107.015 163.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.59 88.24 0.13 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.498 0.666 . . . . 1.85 111.226 -171.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -112.12 158.25 19.85 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.078 -0.964 . . . . 1.2 109.715 178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -61.44 -49.81 75.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 118.303 0.502 . . . . 3.57 111.187 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.46 -27.16 68.8 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.876 0.369 . . . . 2.24 111.447 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.68 -12.85 60.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.97 112.376 -174.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -69.89 -33.95 72.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.578 0.704 . . . . 2.33 109.486 -178.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 -27.54 30.15 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.989 -1.005 . . . . 3.21 110.808 -178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.43 ' O ' HG12 ' A' ' 89' ' ' ILE . 8.8 t -69.7 -37.09 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 110.042 -0.355 . . . . 1.35 110.042 178.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 31.0 ttpt -64.0 -52.04 61.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 2.3 110.875 -176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 88' ' ' GLU . 30.5 pttt -57.36 -35.76 70.36 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.047 -0.524 . . . . 3.93 111.992 -174.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 87' ' ' LYS . 21.3 mt-10 -74.0 -43.65 57.33 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.833 -0.347 . . . . 2.58 110.837 -177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 85' ' ' VAL . 47.7 mm -59.7 -41.17 84.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.516 -0.311 . . . . 1.17 110.503 178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 53.4 mt-10 -62.96 -44.69 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 2.08 111.38 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.8 ttpp -66.86 -37.34 84.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.916 0.388 . . . . 3.12 110.774 -177.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -67.43 -39.15 85.42 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.155 -0.475 . . . . 2.41 110.348 176.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.16 85.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.752 -0.658 . . . . 1.01 111.292 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -65.43 -32.28 73.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 3.67 110.97 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.455 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 3.1 ttmp? -70.72 -34.77 72.26 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.212 -0.449 . . . . 3.34 110.468 179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -84.22 -3.53 58.23 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.17 -0.468 . . . . 2.17 111.174 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 4.7 t30 62.56 33.9 15.54 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.679 -0.692 . . . . 2.33 110.462 175.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.5 tt -114.83 123.83 31.39 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.035 -0.53 . . . . 2.08 109.742 -176.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -65.01 119.32 6.33 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.133 1.888 . . . . 1.25 112.295 178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.516 HG22 ' HB ' ' A' ' 72' ' ' ILE . 94.8 t -125.66 123.7 65.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.116 -0.493 . . . . 1.35 110.735 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -93.63 118.29 31.19 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.023 -0.535 . . . . 3.87 109.942 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.534 HG12 ' HB ' ' A' ' 74' ' ' VAL . 8.0 mt -112.47 133.57 57.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.092 -0.504 . . . . 0.76 110.446 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -139.86 154.67 47.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 3.34 111.5 177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 94.5 mttt -112.19 122.59 48.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.085 174.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.3 m -138.15 149.36 24.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 N-CA-C 109.909 -0.404 . . . . 0.55 109.909 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.47 ' HB ' ' OE1' ' A' ' 77' ' ' GLU . 7.4 t -134.36 91.92 2.86 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 122.02 0.914 . . . . 1.64 109.955 169.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.415 ' HB2' ' O ' ' A' ' 106' ' ' THR . 30.3 t 175.81 128.34 0.15 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 114.509 -1.223 . . . . 1.36 108.851 175.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.467 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 72.3 Cg_exo -47.51 -60.37 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 122.406 2.071 . . . . 0.69 113.381 -177.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 112' ' ' LYS . 25.5 t70 -67.76 -20.01 65.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.54 -0.3 . . . . 2.37 111.709 -176.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.472 ' O ' ' HB3' ' A' ' 113' ' ' ARG . 19.0 tp10 -73.4 -37.45 65.94 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.652 -0.87 . . . . 2.12 108.652 176.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.61 -45.91 67.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.771 -0.65 . . . . 0.41 110.139 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 27.6 mtpp -58.4 -32.72 68.89 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.773 -0.648 . . . . 1.51 110.663 177.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' A' ' 110' ' ' GLU . 62.0 ttt180 -56.09 -57.75 10.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.58 -0.737 . . . . 2.96 112.035 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -68.08 -30.64 69.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.129 0.49 . . . . 1.29 110.936 -175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 67.5 mt -69.03 -31.26 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.305 0.574 . . . . 0.55 109.882 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -74.72 -55.98 5.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.534 -0.757 . . . . 3.13 110.978 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.58 -28.29 69.04 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.925 0.343 . . . . 2.14 111.925 -173.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -77.27 -25.26 51.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.702 0.26 . . . . 1.57 111.702 178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.437 ' HB3' HD11 ' A' ' 47' ' ' LEU . 11.3 p -90.87 -35.34 14.83 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.998 -0.281 . . . . 1.2 111.153 179.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -73.0 -43.93 61.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.389 -0.368 . . . . 2.77 110.808 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.981 -0.533 . . . . 4.0 110.297 -179.337 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.927 -0.469 . . . . 1.16 111.927 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 73' ' ' LEU . 24.4 tp -145.58 134.14 22.08 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.751 0.31 . . . . 1.91 110.674 179.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.455 HD23 HD12 ' A' ' 72' ' ' ILE . 57.2 tp -113.12 118.26 34.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.964 -0.754 . . . . 1.24 108.964 174.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 44.3 t -100.39 123.56 53.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.321 -0.4 . . . . 0.95 110.738 -175.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.578 ' CD2' ' HB2' ' A' ' 50' ' ' LEU . 48.4 mt -112.27 108.98 18.38 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.29 -0.633 . . . . 1.17 109.29 177.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' HA ' ' O ' ' A' ' 75' ' ' LEU . 12.3 tt -118.03 133.85 63.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.04 0.448 . . . . 1.0 111.236 -173.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 4.9 t90 -128.89 98.01 4.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.309 0.576 . . . . 2.26 109.665 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.6 p -143.06 167.14 22.79 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.287 -0.869 . . . . 1.29 108.79 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -127.91 65.69 1.36 Allowed 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 118.743 -1.183 . . . . 2.33 110.862 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.528 ' HB3' ' HB3' ' A' ' 34' ' ' LEU . 16.7 t70 -120.79 130.5 54.02 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.838 -1.171 . . . . 1.45 107.838 162.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 1.6 tpmt? -68.11 -33.29 74.24 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 121.089 -0.244 . . . . 3.05 111.515 -172.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -85.83 -35.07 20.87 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.986 -0.286 . . . . 3.16 111.326 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 31' ' ' ASP . 53.7 tp -56.1 -50.57 70.67 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.809 0.338 . . . . 1.59 111.093 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.86 -44.7 99.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.948 -0.569 . . . . 1.01 110.616 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -66.76 -33.45 75.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.401 . . . . 2.62 111.825 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -65.74 -48.77 70.78 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.168 0.509 . . . . 1.61 110.417 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.68 -36.04 81.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.835 -0.62 . . . . 0.5 110.359 177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -58.65 -54.05 51.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.198 -0.91 . . . . 3.48 111.44 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.83 -33.05 74.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.392 -0.367 . . . . 2.95 111.34 -176.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.678 ' SD ' ' HE2' ' A' ' 116' ' ' LYS . 42.1 tpp -71.17 -40.6 71.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.031 0.444 . . . . 1.55 110.872 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 47' ' ' LEU . . . -75.2 -31.38 60.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.285 -0.416 . . . . 0.59 110.684 178.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -62.98 -48.31 79.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.289 -0.414 . . . . 2.38 110.608 -179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.57 -19.82 63.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 2.2 111.283 -177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -94.29 10.25 34.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.922 0.392 . . . . 0.82 110.922 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.9 t30 60.1 46.4 10.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.504 -0.771 . . . . 2.13 110.74 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.538 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . 38.8 mt -115.45 174.0 6.23 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.672 -0.694 . . . . 1.18 109.401 177.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -133.22 143.16 48.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.53 0.205 . . . . 1.61 110.594 -176.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 4.3 mp -116.02 153.14 32.2 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.092 0.472 . . . . 1.76 110.467 178.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.578 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . 73.9 mt -141.24 143.94 34.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.267 -0.879 . . . . 1.48 109.888 172.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 m -87.17 148.36 25.22 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.982 -1.118 . . . . 2.07 107.982 172.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 52' ' ' LEU . 5.2 mp -90.14 107.28 19.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.347 0.594 . . . . 3.43 110.148 -169.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -146.64 -71.31 0.24 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.598 -1.183 . . . . 2.97 108.842 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.8 p -106.29 108.89 20.63 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.225 -0.898 . . . . 3.3 110.18 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.591 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.4 m-20 -71.65 -61.11 1.9 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.361 -0.836 . . . . 3.66 110.699 -173.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -56.67 -46.51 81.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.233 -0.894 . . . . 2.98 111.405 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -67.19 -62.94 1.18 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.526 -0.761 . . . . 4.03 111.93 -171.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -79.73 -50.05 11.17 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.214 0.45 . . . . 2.99 112.214 -171.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 55' ' ' ASP . 95.8 mt -61.24 -49.15 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.457 -0.338 . . . . 1.33 111.762 -173.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -68.65 -34.81 76.36 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.528 -0.469 . . . . 2.01 110.742 -175.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.03 -48.73 79.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 2.27 110.942 -177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.7 mt -71.45 -38.09 67.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.154 -0.475 . . . . 0.93 110.713 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.1 tp -62.21 -38.58 89.71 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.994 0.426 . . . . 1.89 110.297 -179.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -67.0 -29.76 69.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.079 -0.51 . . . . 3.41 110.776 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.0 t -72.05 -36.98 69.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 1.65 110.939 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.681 ' O ' ' HD2' ' A' ' 68' ' ' PRO . 4.2 mm? -63.06 -42.21 99.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.334 -0.394 . . . . 1.72 111.522 -178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.62 -88.54 0.6 Allowed Glycine 0 CA--C 1.522 0.483 0 C-N-CA 120.73 -0.748 . . . . 1.28 112.629 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.681 ' HD2' ' O ' ' A' ' 66' ' ' LEU . 15.0 Cg_endo -56.87 165.09 5.27 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.575 2.85 . . . . 1.56 112.977 179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.49 99.28 0.17 Allowed 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.966 2.444 . . . . 1.89 111.505 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 48.7 t -86.59 148.46 4.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.779 -0.646 . . . . 1.08 110.371 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' NZ ' ' HB2' ' A' ' 71' ' ' LYS . 4.9 ttmp? -101.74 138.81 38.22 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.348 -0.612 . . . . 2.53 109.348 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.455 HD12 HD23 ' A' ' 24' ' ' LEU . 36.5 mm -97.73 117.2 42.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.144 0.497 . . . . 1.0 111.088 -175.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HB2' HD11 ' A' ' 23' ' ' LEU . 1.5 tt -97.57 105.59 17.76 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.914 -0.773 . . . . 1.22 108.914 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.436 ' HB ' ' HA ' ' A' ' 102' ' ' ILE . 58.1 t -94.64 124.95 47.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.487 -0.56 . . . . 1.3 109.487 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.466 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 19.0 tp -128.46 108.47 10.57 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.408 -0.59 . . . . 1.67 109.408 -174.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 67.7 mt -114.72 140.3 48.99 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.063 -0.517 . . . . 1.76 111.405 -173.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -89.83 119.39 30.17 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.078 -1.082 . . . . 1.74 108.078 170.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.58 88.11 0.13 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.497 0.665 . . . . 1.85 111.104 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.5 ' H ' ' HB3' ' A' ' 82' ' ' ALA . 4.9 m -113.15 163.83 14.27 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.063 -0.971 . . . . 1.2 109.47 176.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -59.14 -43.16 92.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 118.147 0.43 . . . . 3.57 110.165 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -61.49 -40.4 94.44 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.306 0.574 . . . . 2.24 110.719 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.5 ' HB3' ' H ' ' A' ' 79' ' ' THR . . . -69.33 -12.06 61.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.341 -0.845 . . . . 0.97 111.843 -174.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.618 ' O ' ' HG2' ' A' ' 87' ' ' LYS . 14.2 t70 -73.56 -38.35 65.24 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.124 -0.695 . . . . 2.33 109.124 178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -73.6 -49.24 27.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.532 -0.758 . . . . 3.21 110.604 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 89' ' ' ILE . 3.2 t -60.56 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 1.35 110.001 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 3.7 ttmp? -58.2 -51.83 68.1 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.499 0.19 . . . . 2.3 110.654 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 83' ' ' ASP . 34.9 mmtp -58.06 -45.59 86.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 3.93 110.876 -178.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -68.11 -34.64 76.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.97 -0.559 . . . . 2.58 110.975 -178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 85' ' ' VAL . 36.2 mm -70.02 -46.62 72.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.553 -0.294 . . . . 1.17 110.657 177.68 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 50.5 mt-10 -53.72 -50.34 66.15 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.783 0.325 . . . . 2.08 110.721 179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -61.09 -51.79 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.008 -0.542 . . . . 3.12 111.257 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' HD13 ' A' ' 89' ' ' ILE . 10.0 mtmp? -66.76 -34.61 78.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.403 -0.362 . . . . 2.41 111.938 -175.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.28 -37.9 84.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.961 0.41 . . . . 1.01 110.547 176.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -68.45 -41.68 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.04 -0.527 . . . . 3.67 110.371 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -72.2 -9.97 59.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.116 -0.493 . . . . 3.34 110.983 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -105.12 -6.45 19.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.242 0.544 . . . . 2.17 110.159 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 57.56 55.37 5.69 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.319 -0.855 . . . . 2.33 110.159 -176.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 38.3 tp -116.95 106.37 47.77 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.303 -0.862 . . . . 2.08 110.43 -177.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.51 118.9 5.85 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.22 1.947 . . . . 1.25 111.757 175.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.4 m -133.05 142.83 41.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.362 -0.381 . . . . 1.35 111.006 -176.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -109.8 104.51 13.48 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.367 -0.605 . . . . 3.87 109.367 173.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.436 ' HA ' ' HB ' ' A' ' 74' ' ' VAL . 61.5 mt -90.63 120.1 38.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.863 0.363 . . . . 0.76 110.932 -176.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HG2' HG13 ' A' ' 105' ' ' VAL . 14.1 ttt180 -126.74 139.54 53.06 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.991 -0.55 . . . . 3.34 110.17 178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 33.0 mtmm -108.17 115.46 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.61 -0.268 . . . . 1.91 110.451 -179.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG13 ' HG2' ' A' ' 103' ' ' ARG . 25.2 m -140.58 150.29 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.916 0.389 . . . . 0.55 110.777 -178.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.5 m -131.21 93.74 3.43 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.985 -0.746 . . . . 1.64 108.985 164.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 108' ' ' PRO . 41.3 t 177.42 123.17 0.18 Allowed Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.476 -0.784 . . . . 1.36 109.418 -176.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 107' ' ' SER . 24.7 Cg_exo -62.75 -39.53 42.16 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.662 2.241 . . . . 0.69 112.005 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.88 -42.72 89.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.098 -0.501 . . . . 2.37 110.987 -178.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -61.83 -46.84 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 2.12 110.552 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.55 -48.97 73.88 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.999 -0.546 . . . . 0.41 110.945 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -57.87 -39.22 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 1.51 111.012 179.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.458 ' O ' ' HG2' ' A' ' 117' ' ' GLU . 69.1 ttt180 -69.49 -47.39 64.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.445 -176.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -65.16 -29.46 70.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.949 0.404 . . . . 1.29 110.661 -176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.5 mt -72.1 -42.66 67.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.9 -0.591 . . . . 0.55 110.134 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.678 ' HE2' ' SD ' ' A' ' 41' ' ' MET . 57.2 mmtt -62.72 -39.74 94.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 3.13 111.163 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 113' ' ' ARG . 42.5 mm-40 -54.74 -44.61 73.7 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.31 0.381 . . . . 2.14 111.394 179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.411 ' HB2' HD22 ' A' ' 23' ' ' LEU . 28.1 m-85 -83.74 -17.34 41.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.229 -0.441 . . . . 1.57 111.109 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 35.3 t -77.34 -12.88 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.186 -0.461 . . . . 1.2 110.213 178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.23 24.38 6.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.356 0.598 . . . . 2.77 110.359 176.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 118.44 -0.791 . . . . 4.0 109.883 176.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.673 0 N-CA-C 112.093 -0.403 . . . . 1.16 112.093 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -141.41 131.16 24.21 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.958 -0.386 . . . . 1.91 109.958 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt -130.71 143.05 50.47 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.993 0.425 . . . . 1.24 110.695 -177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.8 ' O ' ' HA ' ' A' ' 49' ' ' LEU . 34.1 m -136.61 153.55 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.786 -0.643 . . . . 0.95 110.039 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' HG ' HG23 ' A' ' 74' ' ' VAL . 1.4 pt? -156.18 156.55 34.38 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 110.094 -0.336 . . . . 1.17 110.094 172.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 6.0 tt -140.85 124.88 17.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.144 0.497 . . . . 1.0 111.059 -176.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.7 t90 -110.31 98.2 7.49 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.425 0.631 . . . . 2.26 109.857 177.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -142.16 154.0 44.51 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.055 -1.091 . . . . 1.29 108.055 173.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -115.79 71.71 0.78 Allowed 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.538 -0.865 . . . . 2.33 109.953 173.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.482 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . 20.3 t70 -117.42 167.88 10.87 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.841 -1.072 . . . . 1.45 108.828 170.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.514 ' N ' ' HE3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -80.98 -63.97 1.29 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.512 0.672 . . . . 3.05 110.502 176.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -82.82 -28.54 30.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.522 -0.763 . . . . 3.16 111.587 -171.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CB ' ' HB3' ' A' ' 31' ' ' ASP . 1.8 tt -53.52 -54.16 41.18 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.884 0.373 . . . . 1.59 110.127 -178.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.5 mt -60.05 -43.92 93.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.752 -0.658 . . . . 1.01 110.586 -178.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 tt0 -61.6 -46.47 89.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.575 -0.739 . . . . 2.62 111.535 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.16 -38.33 90.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.743 0.306 . . . . 1.61 111.166 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.34 -51.61 55.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.948 -0.569 . . . . 0.5 111.608 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.438 ' HA ' ' HG ' ' A' ' 49' ' ' LEU . 15.4 ptm180 -61.91 -30.01 70.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.471 -0.331 . . . . 3.48 111.654 -176.716 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' GLU . 68.4 mttm -64.55 -38.13 89.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.846 0.355 . . . . 2.95 111.018 178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.9 mmt -72.46 -31.15 65.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.361 -0.382 . . . . 1.55 110.58 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.95 -43.97 61.69 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.361 176.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.22 -39.95 92.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.338 0.589 . . . . 2.38 109.768 177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -61.79 -31.61 71.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.165 -0.925 . . . . 2.2 111.445 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -105.4 13.75 29.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.376 -0.374 . . . . 0.82 111.976 -175.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 60.38 38.96 19.18 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.475 0.655 . . . . 2.13 110.801 178.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.445 HD11 ' HB3' ' A' ' 119' ' ' SER . 73.5 mt -100.36 146.7 26.65 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.082 -0.508 . . . . 1.18 110.586 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -92.92 89.33 6.52 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.53 -0.545 . . . . 1.61 109.53 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.8 ' HA ' ' O ' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -93.3 143.79 25.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.414 0.626 . . . . 1.76 110.973 -179.423 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.8 mp -128.35 150.97 49.86 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 1.48 110.355 178.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.429 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 t -140.3 98.86 3.52 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.395 0.617 . . . . 2.07 109.45 173.065 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD11 ' O ' ' A' ' 54' ' ' THR . 1.3 pt? -173.32 173.56 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 3.43 110.694 -173.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -81.84 -49.03 10.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.699 0.285 . . . . 2.97 111.473 -178.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.408 ' O ' HD11 ' A' ' 52' ' ' LEU . 2.8 m -103.94 106.58 17.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.028 0.442 . . . . 3.3 110.962 -178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.634 ' OD2' HD12 ' A' ' 59' ' ' ILE . 7.5 p-10 -92.26 -16.86 25.57 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.913 -0.585 . . . . 3.66 110.436 -178.028 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' NZ ' ' A' ' 92' ' ' LYS . 25.2 t70 -41.3 -56.45 2.43 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 114.121 1.156 . . . . 2.98 114.121 -171.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 tptt -69.52 -44.92 70.02 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.735 -0.386 . . . . 4.03 111.301 -171.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -73.74 -51.95 14.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.435 -0.348 . . . . 2.99 111.849 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.634 HD12 ' OD2' ' A' ' 55' ' ' ASP . 34.7 mt -65.4 -40.14 87.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.856 -0.338 . . . . 1.33 111.492 -174.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -66.66 -36.92 83.71 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.155 -0.618 . . . . 2.01 110.013 -179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.76 -52.45 60.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.885 -0.598 . . . . 2.27 110.647 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 82.5 mt -60.66 -41.6 88.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.93 110.813 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 17.0 tp -66.05 -44.86 83.36 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.151 -0.477 . . . . 1.89 110.859 -178.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -64.62 -25.02 67.78 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.738 0.304 . . . . 3.41 111.058 176.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.9 m -85.4 -18.66 33.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.38 -0.373 . . . . 1.65 111.058 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 40.3 mt -81.13 -41.97 21.65 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.771 0.285 . . . . 1.72 111.771 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.31 -95.08 0.91 Allowed Glycine 0 CA--C 1.521 0.413 0 C-N-CA 120.382 -0.913 . . . . 1.28 113.19 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.15 153.91 30.76 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.273 2.649 . . . . 1.56 112.908 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -49.57 106.62 0.12 Allowed 'Trans proline' 0 C--N 1.349 0.566 0 C-N-CA 123.224 2.616 . . . . 1.89 111.743 175.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 77.2 t -86.86 135.1 25.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.497 -0.774 . . . . 1.08 111.306 -176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -84.6 127.41 34.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.759 -0.655 . . . . 2.53 109.418 177.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.7 mt -108.94 127.02 65.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.156 -0.475 . . . . 1.0 111.657 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.546 ' HB3' HG12 ' A' ' 25' ' ' VAL . 61.1 tp -105.46 133.87 49.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.593 -0.73 . . . . 1.22 109.358 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.475 HG23 ' HG ' ' A' ' 26' ' ' LEU . 9.1 p -128.28 123.32 59.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 121.548 0.69 . . . . 1.3 110.669 179.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.6 mp -100.57 119.1 38.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.365 -0.834 . . . . 1.67 109.126 177.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 104' ' ' LYS . 98.4 mt -117.1 119.23 34.62 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.832 0.348 . . . . 1.76 110.94 -177.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -75.78 132.93 40.76 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.424 -0.954 . . . . 1.74 108.424 171.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -75.33 87.4 2.54 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.391 0.615 . . . . 1.85 110.357 -173.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 ' H ' ' A' ' 80' ' ' LYS . 1.8 m -112.74 174.6 5.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.375 -0.83 . . . . 1.2 109.745 177.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' H ' HG22 ' A' ' 79' ' ' THR . 60.0 mttp -62.75 -54.22 42.39 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.872 -0.331 . . . . 3.57 110.371 174.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -56.13 -25.13 44.89 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.167 -0.47 . . . . 2.24 111.538 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.19 -12.14 37.59 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.744 0.646 . . . . 0.97 112.744 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -71.11 -32.63 69.27 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.778 0.799 . . . . 2.33 108.928 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 27.8 ttpp -84.64 -42.66 15.15 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 114.707 -1.133 . . . . 3.21 110.517 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.62 -33.87 59.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 110.211 -0.292 . . . . 1.35 110.211 -176.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 90' ' ' GLU . 87.8 tttt -63.32 -54.61 34.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.429 -0.35 . . . . 2.3 110.476 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -68.17 -22.02 64.86 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.527 -0.306 . . . . 3.93 111.229 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 84' ' ' LYS . 44.1 mt-10 -70.92 -45.38 64.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.645 0.259 . . . . 2.58 110.628 177.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 50.0 mm -68.22 -38.51 79.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.174 -0.466 . . . . 1.17 110.226 178.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 86' ' ' LYS . 49.1 mt-10 -63.82 -42.07 97.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.95 0.405 . . . . 2.08 110.951 177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 91' ' ' LYS . 0.8 OUTLIER -56.09 -45.93 79.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.71 -0.677 . . . . 3.12 111.054 -178.339 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.443 ' NZ ' ' HA ' ' A' ' 56' ' ' ASP . 17.8 ptmt -77.58 -27.97 51.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.207 -0.452 . . . . 2.41 110.711 -177.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.8 95.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.01 0.433 . . . . 1.01 110.587 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -74.66 -30.6 61.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.939 -0.573 . . . . 3.67 110.266 179.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -71.65 -40.78 69.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.333 -0.394 . . . . 3.34 111.487 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -89.21 -5.97 57.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.651 0.263 . . . . 2.17 111.615 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 m120 66.23 36.86 5.25 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.792 -0.64 . . . . 2.33 111.599 177.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 80.0 mt -120.09 126.69 26.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.42 -0.355 . . . . 2.08 110.311 179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -68.27 124.36 11.61 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.08 1.853 . . . . 1.25 112.063 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.5 p -104.7 128.04 58.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.972 0.415 . . . . 1.35 110.153 176.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -89.45 104.41 16.96 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.593 -0.521 . . . . 3.87 109.593 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.411 ' HA ' HG12 ' A' ' 74' ' ' VAL . 38.5 mt -91.66 116.29 32.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.785 -0.643 . . . . 0.76 111.013 -176.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.507 ' HG3' HG13 ' A' ' 105' ' ' VAL . 32.3 tpt180 -124.03 114.48 19.79 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.776 -0.647 . . . . 3.34 110.179 179.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 76' ' ' LEU . 85.8 mttt -80.95 114.56 19.91 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.347 -0.388 . . . . 1.91 110.331 177.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.507 HG13 ' HG3' ' A' ' 103' ' ' ARG . 7.0 m -146.71 143.28 20.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.935 -0.575 . . . . 0.55 111.233 -177.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 4.2 t -145.36 93.83 2.43 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-O 121.935 0.874 . . . . 1.64 109.141 167.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 14.9 p 178.01 141.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 114.466 -1.243 . . . . 1.36 108.592 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.404 ' O ' ' HG3' ' A' ' 112' ' ' LYS . 37.6 Cg_exo -55.86 -47.27 25.91 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 121.496 1.464 . . . . 0.69 112.182 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -62.19 -43.92 97.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.081 -0.509 . . . . 2.37 112.283 -174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -68.48 -35.75 77.97 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.77 -0.372 . . . . 2.12 111.289 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.23 84.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.248 0.547 . . . . 0.41 109.612 -177.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 108' ' ' PRO . 88.5 mttt -65.59 -45.34 83.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.308 -0.86 . . . . 1.51 110.493 175.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -59.8 -58.29 9.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.639 -0.71 . . . . 2.96 112.012 -174.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -65.84 -41.86 91.21 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.028 0.381 . . . . 1.29 112.028 -171.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.35 -41.78 92.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 CA-C-O 121.021 0.438 . . . . 0.55 110.974 177.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -73.27 -42.52 62.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 3.13 110.082 -178.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -55.64 -48.5 74.87 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.405 -0.816 . . . . 2.14 110.724 177.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -59.63 -38.51 81.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.672 -0.695 . . . . 1.57 110.926 -176.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.445 ' HB3' HD11 ' A' ' 47' ' ' LEU . 9.1 p -91.18 -17.49 25.99 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.347 -0.388 . . . . 1.2 111.821 -175.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -59.37 -47.48 85.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 2.77 111.122 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.246 0.915 0 CA-C-N 116.171 -0.468 . . . . 4.0 110.797 179.807 . . . . . . . . 0 0 . 1 stop_ save_